Citric acid

Identification

Summary

Citric acid is an anti-chelation additive used in blood collection tubes and as a flavoring and preservative agent in various cosmetic and pharmaceutical products.

Brand Names
Alka-seltzer, Alka-seltzer Fruit Chews, Alka-seltzer Heartburn Relief, As 3, Citrasate, Clenpiq, Cpda-1 Blood Collection System, Cytra-K, EnLyte, Hemosate Ultra, Leukotrap, Oracit, Phexxi, Pico-salax, Picoflo, Purg-odan, Renacidin
Generic Name
Citric acid
DrugBank Accession Number
DB04272
Background

A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium-chelating ability.

Citric acid is one of the active ingredients in Phexxi, a non-hormonal contraceptive agent that was approved by the FDA on May 2020.1 It is also used in combination with magnesium oxide to form magnesium citrate, an osmotic laxative.3

Type
Small Molecule
Groups
Approved, Nutraceutical, Vet approved
Structure
Weight
Average: 192.1235
Monoisotopic: 192.02700261
Chemical Formula
C6H8O7
Synonyms
  • 2-hydroxy-1,2,3-propanetricarboxyic acid
  • 2-Hydroxytricarballylic acid
  • 3-carboxy-3-hydroxypentane-1,5-dioic acid
  • ácido cítrico
  • Acidum citricum
  • Anhydrous citric acid
  • Citric acid monoglyceride
  • Citric acid, anhydrous
  • Citric acid,anhydrous
  • Citronensäure
External IDs
  • FEMA NO. 2306
  • NSC-112226
  • NSC-30279
  • NSC-626579

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Used in combination to treatAcidosisCombination Product in combination with: Potassium citrate (DB09125)••••••••••••••••••••
Used in combination to treatCatheter site calcification caused by appatiteCombination Product in combination with: Gluconolactone (DB04564), Magnesium carbonate (DB09481)••••••••••••
Used in combination to treatCatheter site calcification caused by struviteCombination Product in combination with: Magnesium carbonate (DB09481), Gluconolactone (DB04564)••••••••••••
Used as adjunct in combination to treatGouty arthritisCombination Product in combination with: Potassium citrate (DB09125)••••••••••••••••••••
Used in combination to manageHeadacheCombination Product in combination with: Acetylsalicylic acid (DB00945), Sodium bicarbonate (DB01390)••• •••
Associated Therapies
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
AMetallo-beta-lactamase type 2
inhibitor
Klebsiella pneumoniae
AAldose reductase
inhibitor
Humans
AIsocitrate dehydrogenase [NADP]
substrate
inhibitor
Bacillus subtilis (strain 168)
ABeta-lactamase
weak inhibitor
Bacillus licheniformis
UBeta-lactamase 2Not AvailableBacillus cereus
UCitrate synthase, mitochondrialNot AvailableHumans
UProto-oncogene tyrosine-protein kinase SrcNot AvailableHumans
URibonuclease pancreaticNot AvailableHumans
UEosinophil cationic proteinNot AvailableHumans
UFumarate hydratase class II
inhibitor
Escherichia coli (strain K12)
U6-phosphogluconolactonaseNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UL-amino-acid oxidaseNot AvailableHumans
UCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Not AvailableHumans
UCytochrome c peroxidaseNot AvailableMarinobacter hydrocarbonoclasticus
UHepatocyte growth factor-regulated tyrosine kinase substrateNot AvailableHumans
UInvasinNot AvailableYersinia pseudotuberculosis serotype I (strain IP32953)
UIntron-associated endonuclease 1Not AvailableEnterobacteria phage T4
UShort tail fiber proteinNot AvailableEnterobacteria phage T4
UMalate dehydrogenase, mitochondrialNot AvailableHumans
UN5-carboxyaminoimidazole ribonucleotide mutaseNot AvailableAcetobacter aceti
U50S ribosomal protein L4Not AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UCarboxypeptidase BNot AvailableHumans
UHexon proteinNot AvailableHAdV-2
URiboflavin biosynthesis protein RibFNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UBeta-fructosidaseNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UPutative stringent starvation protein ANot AvailableYersinia pestis
UCitrate synthaseNot AvailableThermus thermophilus
URNA 3'-terminal phosphate cyclaseNot AvailableEscherichia coli (strain K12)
UU6 snRNA-associated Sm-like protein LSm6Not AvailableHumans
UPleckstrin homology domain-containing family A member 1Not AvailableHumans
UFe(3+)-binding periplasmic proteinNot AvailableSerratia marcescens
USignal recognition particle receptor FtsYNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UNicotinate-nucleotide adenylyltransferaseNot AvailableShigella flexneri
UN utilization substance protein B homologNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UComplement component C8 gamma chainNot AvailableHumans
URibonucleoside-diphosphate reductase subunit betaNot AvailableMycobacterium leprae (strain TN)
UGlutamine synthetase 1Not AvailableMycobacterium tuberculosis
UCitrate synthaseNot AvailableAntarctic bacterium DS2-3R
UProstaglandin F synthaseNot AvailableTrypanosoma brucei brucei
UAdenine phosphoribosyltransferaseNot AvailableHumans
UGlucose-1-phosphate thymidylyltransferaseNot AvailablePseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
UGlyoxalase family proteinNot AvailableBacillus cereus (strain ATCC 14579 / DSM 31)
ULaccase domain protein YfiHNot AvailableEscherichia coli (strain K12)
URibose-5-phosphate isomerase ANot AvailableHaemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
UGMP synthase [glutamine-hydrolyzing]Not AvailableEscherichia coli (strain K12)
UInosine triphosphate pyrophosphataseNot AvailableHumans
ULysozymeNot AvailableEnterobacteria phage P1
UGlycerol uptake operon antiterminator regulatory proteinNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
U3-carboxy-cis,cis-muconate cycloisomeraseNot AvailablePseudomonas putida
UPyruvate decarboxylaseNot AvailableZymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

ORAL (LD50): Acute: 5040 mg/kg [Mouse]. 3000 mg/kg [Rat].

Pathways
PathwayCategory
The Oncogenic Action of FumarateDisease
The Oncogenic Action of L-2-Hydroxyglutarate in HydroxygluaricaciduriaDisease
Citric Acid CycleMetabolic
Pyruvate Dehydrogenase Deficiency (E3)Disease
Pyruvate Dehydrogenase Deficiency (E2)Disease
The Oncogenic Action of SuccinateDisease
Glutaminolysis and CancerDisease
The Oncogenic Action of D-2-Hydroxyglutarate in HydroxygluaricaciduriaDisease
Transfer of Acetyl Groups into MitochondriaMetabolic
Congenital Lactic AcidosisDisease
Fumarase DeficiencyDisease
Mitochondrial Complex II DeficiencyDisease
2-Ketoglutarate Dehydrogenase Complex DeficiencyDisease
Warburg EffectMetabolic
The Oncogenic Action of 2-HydroxyglutarateDisease
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
AmphetamineThe excretion of Amphetamine can be decreased when combined with Citric acid.
BenzphetamineThe excretion of Benzphetamine can be decreased when combined with Citric acid.
ChlorpropamideCitric acid may decrease the excretion rate of Chlorpropamide which could result in a higher serum level.
DemeclocyclineThe therapeutic efficacy of Demeclocycline can be decreased when used in combination with Citric acid.
DextroamphetamineThe excretion of Dextroamphetamine can be decreased when combined with Citric acid.
Food Interactions
No interactions found.

Products

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Product Ingredients
IngredientUNIICASInChI Key
Citric acid monohydrate2968PHW8QP5949-29-1YASYEJJMZJALEJ-UHFFFAOYSA-N
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
ACD Solution ModifiedSolution8 mg/1mLIntravenousAnazao Health Corporation2012-05-23Not applicableUS flag
Citric Buffered Normal SalineInjection, solution166 mg/270mLIntravenousNabriva Therapeutics US, Inc.2019-09-09Not applicableUS flag
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Aquacetic-30Solution, concentrate0.3 g/100mLHemodialysisAqua Medica, S.A. de C.V.2023-03-30Not applicableUS flag
bdr Re-action natural low base skin refiner exfoliation essenceLiquid1.5 g/30mLTopicalGoldeneye Permanent System GmbH Germany2016-11-14Not applicableUS flag
Citracid-50Solution, concentrate0.5 g/100mLHemodialysisAqua Medica, S.A. de C.V.2023-03-30Not applicableUS flag
Citric AcidLiquid5.6 g/100mLTopicalAshahi Chemicals USA LLC2020-10-15Not applicableUS flag
Citric Acid WipesLiquid0.88 g/100gTopicalAshahi Chemicals USA LLC2020-03-30Not applicableUS flag
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
A-C-D SolutionCitric acid (80 mg / 10 mL) + Dextrose, unspecified form (132 mg / 10 mL) + Sodium citrate (250 mg / 10 mL)LiquidIntravenousDraximage A Division Of Draxis Specialty Pharmaceuticals Inc1959-12-312003-07-08Canada flag
Acd ACitric acid monohydrate (0.8 g/100mL) + D-glucose monohydrate (2.45 g/100mL) + Sodium citrate dihydrate (2.2 g/100mL)Injection, solutionIntravenousTerumo Bct, Ltd.2002-02-25Not applicableUS flag
Acd ACitric acid monohydrate (0.8 g/100mL) + D-glucose monohydrate (2.45 g/100mL) + Sodium citrate dihydrate (2.2 g/100mL)Injection, solutionIntravenousTerumo Bct, Ltd.2002-02-25Not applicableUS flag
Acd ACitric acid monohydrate (0.80 g/100mL) + D-glucose monohydrate (2.45 g/100mL) + Sodium citrate (2.2 g/100mL)Injection, solutionIntravenousTerumo BCT Ltd2002-02-25Not applicableUS flag
ACD Blood-Pack Units (PL 146 Plastic)Citric acid (493 mg/67.5mL) + D-glucose monohydrate (1.65 g/67.5mL) + Sodium citrate dihydrate (1.48 g/67.5mL)SolutionExtracorporealFenwal, Inc.2007-03-01Not applicableUS flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
ACD Solution ModifiedCitric acid (8 mg/1mL)SolutionIntravenousAnazao Health Corporation2012-05-23Not applicableUS flag
Anticoagulant Citrate Dextrose Solution-ACitric acid monohydrate (0.73 g/100mL) + Dextrose, unspecified form (2.45 g/100mL) + Sodium citrate (2.20 g/100mL)SolutionExtracorporealBiomet Biologics2010-01-012010-09-06US flag
Av-1000Citric acid monohydrate (0.06 g/100g) + Sodium chlorite (0.05 g/100g)PowderTopicalSejin E&P Co., Ltd.2020-05-02Not applicableUS flag
Av100Citric acid monohydrate (0.06 g/100g) + Sodium chlorite (0.05 g/100g)PowderTopicalSejin E&P Co., Ltd.2020-05-02Not applicableUS flag
B100Citric acid monohydrate (0.06 g/100g) + Sodium chlorite (0.05 g/100g)PowderTopicalSejin E&P Co., Ltd.2020-05-02Not applicableUS flag

Categories

ATC Codes
A09AB04 — Citric acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Tricarboxylic acids and derivatives
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Alpha hydroxy acids and derivatives / Tertiary alcohols / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Alcohol / Aliphatic acyclic compound / Alpha-hydroxy acid / Carbonyl group / Carboxylic acid / Hydrocarbon derivative / Hydroxy acid / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
tricarboxylic acid (CHEBI:30769)
Affected organisms
  • Humans and other mammals

Chemical Identifiers

UNII
XF417D3PSL
CAS number
77-92-9
InChI Key
KRKNYBCHXYNGOX-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O

References

Synthesis Reference

Karl E. Wiegand, "Chemical process for producing citric acid." U.S. Patent US3962287, issued 0000.

US3962287
General References
  1. Drugs.com: Phexxi Approval History [Link]
  2. FDA Approved Drug Products: PHEXXI (lactic acid, citric acid, and potassium bitartrate) vaginal gel [Link]
  3. FDA Approved Drug Products: CLENPIQ (sodium picosulfate, magnesium oxide, and anhydrous citric acid) oral solution [Link]
Human Metabolome Database
HMDB0000094
KEGG Drug
D00037
KEGG Compound
C00158
PubChem Compound
311
PubChem Substance
46508995
ChemSpider
305
BindingDB
14672
RxNav
21183
ChEBI
30769
ChEMBL
CHEMBL1261
ZINC
ZINC000000895081
PharmGKB
PA449021
Guide to Pharmacology
GtP Drug Page
PDBe Ligand
CIT
Wikipedia
Citric_acid
PDB Entries
1a59 / 1afl / 1agr / 1aj8 / 1az2 / 1b1e / 1b1i / 1cts / 1cwv / 1cxu
show 1406 more
MSDS
Download (49.5 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedNot AvailableBowel preparation therapy1
4CompletedNot AvailableCorneal Staining1
4CompletedNot AvailableRenal Insufficiency, Acute1
4CompletedDiagnosticColonoscopy1
4CompletedDiagnosticHemodynamics / Hyponatremia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
LiquidIntravenous
SolutionIntravenous8 mg/1mL
Kit; solutionIntravenous
Tablet, effervescentOral
TabletOral
TabletOral324 mg
Aerosol, sprayTopical
Injection, solutionExtracorporeal
SolutionUnknown
SolutionExtracorporeal
SolutionExtracorporeal0.8 g/100ml
SolutionOther
Solution, concentrateHemodialysis0.3 g/100mL
PowderTopical
LiquidTopical1.5 g/30mL
Powder, for solutionOral
SuspensionOral2.000 g
GranuleOral
Solution, concentrateHemodialysis0.5 g/100mL
SolutionHemodialysis
LiquidTopical5.6 g/100mL
LiquidTopical0.88 g/100g
Injection, solutionIntravenous166 mg/270mL
SprayTopical
KitIntravenous
LiquidTopical160.0 g/4000mL
LiquidOral
SolutionOral
SolutionOral334 mg/5ml
Capsule, liquid filledOral
Capsule, delayed release pelletsOral
Injection, suspensionIntramuscular
Solution, concentrateHemodialysis
SprayTopical3.75 g/500mL
LiquidTopical
LiquidTopical0.3 g/100g
Aerosol, sprayNasal
GelTopical104 g/100mL
SolutionParenteral
LiquidTopical0.15 g/100g
SprayTopical2.63 % w/w
SprayTopical0.05 g/500mL
Solution, concentrateOral
GelVaginal
Powder, for solutionOral12 g
PowderOral
SolutionOral5 % w/v
For solutionOral
SolutionOral200 mg/5ml
KitOral
Powder, meteredOral
Tablet, chewableOral
SprayTopical0.13 g/500mL
Powder, for solutionIrrigation; Topical
SolutionIrrigation
Granule, effervescentOral
ClothTopical
SolutionIntravenous
Injection, solutionIntravenous
SprayTopical0.7 mg/100mL
SprayTopical7 mg/1mL
LiquidTopical5.6 mg/100mL
ClothTopical0.88 mg/100mg
Granule, effervescentOral0.72 g
Granule, for solutionOral
SyrupOral
Drug delivery systemOral
LiquidIrrigation
LiquidTopical0.03 g/100mL
LiquidTopical0.007 g/1mL
Powder
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US8450338No2013-05-282028-10-10US flag
US8481083No2013-07-092028-10-10US flag
US9827231No2017-11-282034-06-23US flag
US10624879No2020-04-212034-06-23US flag
US10568855No2020-02-252033-03-15US flag
US6706276No2004-03-162022-03-06US flag
US11191753No2021-12-072034-06-23US flag
US11337989No2013-03-152033-03-15US flag
US11439610No2013-03-152033-03-15US flag

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)153 °CPhysProp
water solubility5.92E+005 mg/L (at 20 °C)MERCK INDEX (1989)
logP-1.64AVDEEF,A (1997)
logS0.51ADME Research, USCD
pKa2.79SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
PropertyValueSource
Water Solubility106.0 mg/mLALOGPS
logP-1.3ALOGPS
logP-1.3Chemaxon
logS-0.26ALOGPS
pKa (Strongest Acidic)3.05Chemaxon
pKa (Strongest Basic)-4.2Chemaxon
Physiological Charge-3Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area132.13 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity35.62 m3·mol-1Chemaxon
Polarizability15.54 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.7518
Blood Brain Barrier+0.855
Caco-2 permeable-0.8634
P-glycoprotein substrateNon-substrate0.6125
P-glycoprotein inhibitor INon-inhibitor0.9694
P-glycoprotein inhibitor IINon-inhibitor0.9658
Renal organic cation transporterNon-inhibitor0.9624
CYP450 2C9 substrateNon-substrate0.8641
CYP450 2D6 substrateNon-substrate0.8932
CYP450 3A4 substrateNon-substrate0.6809
CYP450 1A2 substrateNon-inhibitor0.9336
CYP450 2C9 inhibitorNon-inhibitor0.9399
CYP450 2D6 inhibitorNon-inhibitor0.9476
CYP450 2C19 inhibitorNon-inhibitor0.9396
CYP450 3A4 inhibitorNon-inhibitor0.8735
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9904
Ames testNon AMES toxic0.9132
CarcinogenicityNon-carcinogens0.8206
BiodegradationReady biodegradable0.6288
Rat acute toxicity1.7748 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9948
hERG inhibition (predictor II)Non-inhibitor0.9577
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (4 TMS)GC-MSsplash10-0002-0941000000-c310fda0e6a19bf6ae40
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (4 TMS)GC-MSsplash10-0002-0941000000-f1dfda3e9abc7cfb6b2a
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (4 TMS)GC-MSsplash10-006t-0952000000-ba3a1a80815f65afd05c
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)GC-MSsplash10-0002-0951000000-48857e9baebe16d9fc8d
GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (4 TMS)GC-MSsplash10-00di-9531000000-b6fd7d038634694f0873
GC-MS Spectrum - GC-MS (4 TMS)GC-MSsplash10-00di-0593000000-b193bbba8c0cefdfe42a
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-002k-6900000000-d1a61a52f6efdec3101a
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0002-0941000000-c310fda0e6a19bf6ae40
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0002-0941000000-f1dfda3e9abc7cfb6b2a
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-006t-0952000000-ba3a1a80815f65afd05c
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0002-0951000000-48857e9baebe16d9fc8d
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00di-9531000000-b6fd7d038634694f0873
GC-MS Spectrum - GC-MSGC-MSsplash10-00di-0593000000-b193bbba8c0cefdfe42a
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-0002-0941000000-573230e47a4efb1e36a5
Mass Spectrum (Electron Ionization)MSsplash10-002f-9400000000-fb757b614278bb898b54
MS/MS Spectrum - Quattro_QQQ 10V, NegativeLC-MS/MSsplash10-03di-2900000000-956001b034bbc0b7da96
MS/MS Spectrum - Quattro_QQQ 25V, NegativeLC-MS/MSsplash10-000l-9100000000-55e34e2c1616942fd4f2
MS/MS Spectrum - Quattro_QQQ 40V, NegativeLC-MS/MSsplash10-000f-9000000000-7b8be3e90a4daf85f04a
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-0006-0911200000-af80d22f720facc4813a
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-014i-9000000000-6f4fedbb19821898fb22
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-03di-0900000000-8eff68ab89f7ce2262be
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-0fsi-0019300000-b370c4c3dd656c8eb729
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-0006-0912100000-05e8ceb6dd97f7b9af98
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-014i-9000000000-e4b67745443c48a63bd6
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-03di-0900000000-92536abec982e0a653a0
LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , NegativeLC-MS/MSsplash10-03di-0190000000-35772df08490f451d828
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, NegativeLC-MS/MSsplash10-0006-0900000000-35856cc258368d13e1ff
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, NegativeLC-MS/MSsplash10-03di-3900000000-7170fdcb9749e6d6c2fb
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, NegativeLC-MS/MSsplash10-01p9-9500000000-9a502981b0a9e1ea35ad
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, NegativeLC-MS/MSsplash10-000i-9100000000-ed0c86b90e1f4966d025
LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, NegativeLC-MS/MSsplash10-0a4r-9000000000-b8a975c2d639d8c91afb
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-03di-2900000000-30970a4250098e148658
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-0006-0900000000-a587dddf188152c5d7b0
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-03di-3900000000-7170fdcb9749e6d6c2fb
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-01p9-9500000000-9a502981b0a9e1ea35ad
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-000i-9100000000-42a125e9128ce21bd785
LC-MS/MS Spectrum - LC-ESI-QQ , negativeLC-MS/MSsplash10-0a4r-9000000000-b8a975c2d639d8c91afb
LC-MS/MS Spectrum - LC-ESI-IT , negativeLC-MS/MSsplash10-03di-0900000000-32af4c1bf55ea1563e53
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-014i-9000000000-6f4fedbb19821898fb22
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-03di-0900000000-8eff68ab89f7ce2262be
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-014i-9000000000-e4b67745443c48a63bd6
LC-MS/MS Spectrum - LC-ESI-ITFT , negativeLC-MS/MSsplash10-03di-0900000000-009ac4e65a37a8aa2b24
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-03di-2900000000-30970a4250098e148658
MS/MS Spectrum - , negativeLC-MS/MSsplash10-03dr-5900000000-1dc82963a3a52c19886b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a6r-1900000000-e78eac2269b26fb38004
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-002r-9400000000-cb81907480f8e5971f63
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-9300000000-aa599d26116cfc6276ed
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-1900000000-73b5bc184d0a2c4a1092
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-9000000000-480016a10e8d01bfd35f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-e2456f6433dec76bfed6
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
[1H,1H] 2D NMR Spectrum2D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-141.5311829
predicted
DarkChem Lite v0.1.0
[M-H]-126.3750475
predicted
DarkChem Standard v0.1.0
[M-H]-141.4371829
predicted
DarkChem Lite v0.1.0
[M-H]-130.15987
predicted
DeepCCS 1.0 (2019)
[M+H]+143.3732829
predicted
DarkChem Lite v0.1.0
[M+H]+143.3443829
predicted
DarkChem Lite v0.1.0
[M+H]+145.2914829
predicted
DarkChem Lite v0.1.0
[M+H]+133.94427
predicted
DeepCCS 1.0 (2019)
[M+Na]+142.1312829
predicted
DarkChem Lite v0.1.0
[M+Na]+146.7184164
predicted
DarkChem Standard v0.1.0
[M+Na]+142.1073829
predicted
DarkChem Lite v0.1.0
[M+Na]+143.37556
predicted
DeepCCS 1.0 (2019)

Targets

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Kind
Protein
Organism
Klebsiella pneumoniae
Pharmacological action
Yes
Actions
Inhibitor
General Function
Confers resistance to the different beta-lactams antibiotics (penicillin, cephalosporin and carbapenem) via the hydrolysis of the beta-lactam ring. Does not confer resistance to the polymixin colistin or the fluoroquinolone ciprofloxacin.
Specific Function
Beta-lactamase activity
Gene Name
blaNDM-1
Uniprot ID
C7C422
Uniprot Name
Metallo-beta-lactamase type 2
Molecular Weight
28499.225 Da
References
  1. Kumar R, Chandar B, Parani M: Use of succinic & oxalic acid in reducing the dosage of colistin against New Delhi metallo-beta-lactamase-1 bacteria. Indian J Med Res. 2018 Jan;147(1):97-101. doi: 10.4103/ijmr.IJMR_1407_16. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Glyceraldehyde oxidoreductase activity
Specific Function
Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
Gene Name
AKR1B1
Uniprot ID
P15121
Uniprot Name
Aldose reductase
Molecular Weight
35853.125 Da
References
  1. Harrison DH, Bohren KM, Ringe D, Petsko GA, Gabbay KH: An anion binding site in human aldose reductase: mechanistic implications for the binding of citrate, cacodylate, and glucose 6-phosphate. Biochemistry. 1994 Mar 1;33(8):2011-20. doi: 10.1021/bi00174a006. [Article]
  2. Biadene M, Hazemann I, Cousido A, Ginell S, Joachimiak A, Sheldrick GM, Podjarny A, Schneider TR: The atomic resolution structure of human aldose reductase reveals that rearrangement of a bound ligand allows the opening of the safety-belt loop. Acta Crystallogr D Biol Crystallogr. 2007 Jun;63(Pt 6):665-72. Epub 2007 May 15. [Article]
Kind
Protein
Organism
Bacillus subtilis (strain 168)
Pharmacological action
Yes
Actions
Substrate
Inhibitor
Curator comments
Drug is inhibitor for fungal version of target.
General Function
Nad binding
Specific Function
Not Available
Gene Name
icd
Uniprot ID
P39126
Uniprot Name
Isocitrate dehydrogenase [NADP]
Molecular Weight
46417.39 Da
References
  1. Sadka A, Dahan E, Or E, Cohen L: NADP(+)-isocitrate dehydrogenase gene expression and isozyme activity during citrus fruit development. Plant Sci. 2000 Sep 8;158(1-2):173-181. doi: 10.1016/s0168-9452(00)00328-9. [Article]
  2. Agrawal PK, Bhatt CS, Viswanathan L: Inhibition of fungal NADP+-isocitrate dehydrogenase by citric acid. Z Allg Mikrobiol. 1983;23(6):403-6. doi: 10.1002/jobm.3630230613. [Article]
  3. Kobayashi K, Hattori T, Hayashi R, Kirimura K: Overexpression of the NADP+-specific isocitrate dehydrogenase gene (icdA) in citric acid-producing Aspergillus niger WU-2223L. Biosci Biotechnol Biochem. 2014;78(7):1246-53. doi: 10.1080/09168451.2014.918483. Epub 2014 Jun 17. [Article]
Details
4. Beta-lactamase
Kind
Protein
Organism
Bacillus licheniformis
Pharmacological action
Yes
Actions
Weak inhibitor
General Function
Beta-lactamase activity
Specific Function
Not Available
Gene Name
penP
Uniprot ID
P00808
Uniprot Name
Beta-lactamase
Molecular Weight
33995.36 Da
References
  1. Beck J, Sauvage E, Charlier P, Marchand-Brynaert J: 2-Aminopropane-1,2,3-tricarboxylic acid: Synthesis and co-crystallization with the class A beta-lactamase BS3 of Bacillus licheniformis. Bioorg Med Chem Lett. 2008 Jul 1;18(13):3764-8. doi: 10.1016/j.bmcl.2008.05.045. Epub 2008 May 16. [Article]
Kind
Protein
Organism
Bacillus cereus
Pharmacological action
Unknown
Curator comments
There exists a vague and elusive relationship between drug and target, more research is warranted.
General Function
Zinc ion binding
Specific Function
Can hydrolyze carbapenem compounds.
Gene Name
blm
Uniprot ID
P04190
Uniprot Name
Beta-lactamase 2
Molecular Weight
28092.24 Da
References
  1. Coles NW, Gross R: Exopenicillinase synthesis in Staphylococcus aureus. J Bacteriol. 1969 May;98(2):659-61. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Poly(a) rna binding
Specific Function
Not Available
Gene Name
CS
Uniprot ID
O75390
Uniprot Name
Citrate synthase, mitochondrial
Molecular Weight
51712.025 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Sh3/sh2 adaptor activity
Specific Function
Non-receptor protein tyrosine kinase which is activated following engagement of many different classes of cellular receptors including immune response receptors, integrins and other adhesion recept...
Gene Name
SRC
Uniprot ID
P12931
Uniprot Name
Proto-oncogene tyrosine-protein kinase Src
Molecular Weight
59834.295 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Ribonuclease a activity
Specific Function
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.
Gene Name
RNASE1
Uniprot ID
P07998
Uniprot Name
Ribonuclease pancreatic
Molecular Weight
17644.125 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Ribonuclease activity
Specific Function
Cytotoxin and helminthotoxin with low-efficiency ribonuclease activity. Possesses a wide variety of biological activities. Exhibits antibacterial activity, including cytoplasmic membrane depolariza...
Gene Name
RNASE3
Uniprot ID
P12724
Uniprot Name
Eosinophil cationic protein
Molecular Weight
18385.145 Da
References
  1. Structure Of Ecp In Complex With Citrate Ions [Link]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Fumarate hydratase activity
Specific Function
Catalyzes the reversible addition of water to fumarate to give L-malate.
Gene Name
fumC
Uniprot ID
P05042
Uniprot Name
Fumarate hydratase class II
Molecular Weight
50488.44 Da
References
  1. Weaver T, Banaszak L: Crystallographic studies of the catalytic and a second site in fumarase C from Escherichia coli. Biochemistry. 1996 Nov 5;35(44):13955-65. [Article]
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
Curator comments
Literature referenced did research on target in T. brucei.
General Function
6-phosphogluconolactonase activity
Specific Function
Hydrolysis of 6-phosphogluconolactone to 6-phosphogluconate.
Gene Name
pgl
Uniprot ID
Q9X0N8
Uniprot Name
6-phosphogluconolactonase
Molecular Weight
25324.955 Da
References
  1. Duclert-Savatier N, Poggi L, Miclet E, Lopes P, Ouazzani J, Chevalier N, Nilges M, Delarue M, Stoven V: Insights into the enzymatic mechanism of 6-phosphogluconolactonase from Trypanosoma brucei using structural data and molecular dynamics simulation. J Mol Biol. 2009 May 22;388(5):1009-21. doi: 10.1016/j.jmb.2009.03.063. Epub 2009 Apr 1. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
L-amino-acid oxidase activity
Specific Function
Lysosomal L-amino-acid oxidase with highest specific activity with phenylalanine. May play a role in lysosomal antigen processing and presentation (By similarity).
Gene Name
IL4I1
Uniprot ID
Q96RQ9
Uniprot Name
L-amino-acid oxidase
Molecular Weight
62880.52 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Metal ion binding
Specific Function
Preferentially catalyzes the dephosphorylation of 'Ser-5' within the tandem 7 residue repeats in the C-terminal domain (CTD) of the largest RNA polymerase II subunit POLR2A. Negatively regulates RN...
Gene Name
CTDSP1
Uniprot ID
Q9GZU7
Uniprot Name
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1
Molecular Weight
29202.94 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Marinobacter hydrocarbonoclasticus
Pharmacological action
Unknown
General Function
Oxidoreductase activity
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
P83787
Uniprot Name
Cytochrome c peroxidase
Molecular Weight
35354.415 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Protein domain specific binding
Specific Function
Involved in intracellular signal transduction mediated by cytokines and growth factors. When associated with STAM, it suppresses DNA signaling upon stimulation by IL-2 and GM-CSF. Could be a direct...
Gene Name
HGS
Uniprot ID
O14964
Uniprot Name
Hepatocyte growth factor-regulated tyrosine kinase substrate
Molecular Weight
86191.46 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Yersinia pseudotuberculosis serotype I (strain IP32953)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Invasin is a protein that allows enteric bacteria to penetrate cultured mammalian cells. The entry of invasin in the cell is mediated by binding several beta-1 chain integrins.
Gene Name
Not Available
Uniprot ID
P11922
Uniprot Name
Invasin
Molecular Weight
106543.46 Da
Kind
Protein
Organism
Enterobacteria phage T4
Pharmacological action
Unknown
General Function
Endonuclease activity
Specific Function
This endonuclease is specific to the thymidylate synthase (td) gene splice junction and is involved in intron homing.
Gene Name
ITEVIR
Uniprot ID
P13299
Uniprot Name
Intron-associated endonuclease 1
Molecular Weight
28232.2 Da
Kind
Protein
Organism
Enterobacteria phage T4
Pharmacological action
Unknown
General Function
Metal ion binding
Specific Function
Structural component of the short tail fiber. Adhesion protein that binds irreversibly to the lipopolysaccharides component (LPS) on the cell surface of Escherichia coli B strains during virus atta...
Gene Name
12
Uniprot ID
P10930
Uniprot Name
Short tail fiber protein gp12
Molecular Weight
56204.88 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Poly(a) rna binding
Specific Function
Not Available
Gene Name
MDH2
Uniprot ID
P40926
Uniprot Name
Malate dehydrogenase, mitochondrial
Molecular Weight
35502.935 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Acetobacter aceti
Pharmacological action
Unknown
General Function
5-(carboxyamino)imidazole ribonucleotide mutase activity
Specific Function
Catalyzes the conversion of N5-carboxyaminoimidazole ribonucleotide (N5-CAIR) to 4-carboxy-5-aminoimidazole ribonucleotide (CAIR).
Gene Name
purE
Uniprot ID
Q2QJL3
Uniprot Name
N5-carboxyaminoimidazole ribonucleotide mutase
Molecular Weight
18734.295 Da
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Structural constituent of ribosome
Specific Function
One of the primary rRNA binding proteins, this protein initially binds near the 5'-end of the 23S rRNA. It is important during the early stages of 50S assembly. It makes multiple contacts with diff...
Gene Name
rplD
Uniprot ID
P38516
Uniprot Name
50S ribosomal protein L4
Molecular Weight
26630.77 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Not Available
Gene Name
CPB1
Uniprot ID
P15086
Uniprot Name
Carboxypeptidase B
Molecular Weight
47367.11 Da
Kind
Protein
Organism
HAdV-2
Pharmacological action
Unknown
General Function
Structural molecule activity
Specific Function
Major capsid protein that self-associates to form 240 hexon trimers, each in the shape of a hexagon, building most of the pseudo T=25 capsid. Assembled into trimeric units with the help of the chap...
Gene Name
Not Available
Uniprot ID
P03277
Uniprot Name
Hexon protein
Molecular Weight
109151.995 Da
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Riboflavin kinase activity
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q9WZW1
Uniprot Name
Riboflavin biosynthesis protein
Molecular Weight
33613.56 Da
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Sucrose alpha-glucosidase activity
Specific Function
Hydrolysis of sucrose, raffinose, inulin and levan. Specific for the fructose moiety and the beta-anomeric configuration of the glycosidic linkages of its substrates. The enzyme released fructose f...
Gene Name
bfrA
Uniprot ID
O33833
Uniprot Name
Beta-fructosidase
Molecular Weight
49841.065 Da
Kind
Protein
Organism
Yersinia pestis
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Not Available
Gene Name
sspA
Uniprot ID
A0A5P8YJZ1
Uniprot Name
Putative stringent starvation protein A
Molecular Weight
24524.98 Da
Kind
Protein
Organism
Thermus thermophilus
Pharmacological action
Unknown
General Function
Transferase activity, transferring acyl groups, acyl groups converted into alkyl on transfer
Specific Function
Not Available
Gene Name
cit
Uniprot ID
Q9LCX9
Uniprot Name
Citrate synthase
Molecular Weight
42322.13 Da
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Rna-3'-phosphate cyclase activity
Specific Function
Catalyzes the conversion of 3'-phosphate to a 2',3'-cyclic phosphodiester at the end of RNA. The mechanism of action of the enzyme occurs in 3 steps: (A) adenylation of the enzyme by ATP; (B) trans...
Gene Name
rtcA
Uniprot ID
P46849
Uniprot Name
RNA 3'-terminal phosphate cyclase
Molecular Weight
35902.925 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Poly(a) rna binding
Specific Function
Component of LSm protein complexes, which are involved in RNA processing and may function in a chaperone-like manner, facilitating the efficient association of RNA processing factors with their sub...
Gene Name
LSM6
Uniprot ID
P62312
Uniprot Name
U6 snRNA-associated Sm-like protein LSm6
Molecular Weight
9127.525 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Phosphatidylinositol-3,4-bisphosphate binding
Specific Function
Binds specifically to phosphatidylinositol 3,4-diphosphate (PtdIns3,4P2), but not to other phosphoinositides. May recruit other proteins to the plasma membrane.
Gene Name
PLEKHA1
Uniprot ID
Q9HB21
Uniprot Name
Pleckstrin homology domain-containing family A member 1
Molecular Weight
45553.165 Da
Kind
Protein
Organism
Serratia marcescens
Pharmacological action
Unknown
General Function
Transporter activity
Specific Function
Part of the ABC transporter complex FbpABC (TC 3.A.1.10.1) involved in Fe(3+) ions import. This protein specifically binds Fe(3+) and is involved in its transmembrane transport (By similarity).
Gene Name
fbpA
Uniprot ID
P21408
Uniprot Name
Fe(3+)-binding periplasmic protein
Molecular Weight
36157.015 Da
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Gtpase activity
Specific Function
Involved in targeting and insertion of nascent membrane proteins into the cytoplasmic membrane. Acts as a receptor for the complex formed by the signal recognition particle (SRP) and the ribosome-n...
Gene Name
ftsY
Uniprot ID
Q9WZ40
Uniprot Name
Signal recognition particle receptor FtsY
Molecular Weight
32045.975 Da
Kind
Protein
Organism
Shigella flexneri
Pharmacological action
Unknown
General Function
Nicotinate-nucleotide adenylyltransferase activity
Specific Function
Catalyzes the reversible adenylation of nicotinate mononucleotide (NaMN) to nicotinic acid adenine dinucleotide (NaAD).
Gene Name
nadD
Uniprot ID
P0A753
Uniprot Name
Nicotinate-nucleotide adenylyltransferase
Molecular Weight
24527.75 Da
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Rna binding
Specific Function
Involved in the transcription termination process.
Gene Name
nusB
Uniprot ID
Q9X286
Uniprot Name
N utilization substance protein B homolog
Molecular Weight
16973.325 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Retinol binding
Specific Function
C8 is a constituent of the membrane attack complex. C8 binds to the C5B-7 complex, forming the C5B-8 complex. C5-B8 binds C9 and acts as a catalyst in the polymerization of C9. The gamma subunit se...
Gene Name
C8G
Uniprot ID
P07360
Uniprot Name
Complement component C8 gamma chain
Molecular Weight
22277.285 Da
Kind
Protein
Organism
Mycobacterium leprae (strain TN)
Pharmacological action
Unknown
General Function
Ribonucleoside-diphosphate reductase activity, thioredoxin disulfide as acceptor
Specific Function
Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides (By similarity).
Gene Name
nrdF
Uniprot ID
Q9CBQ2
Uniprot Name
Ribonucleoside-diphosphate reductase subunit beta
Molecular Weight
37315.67 Da
Kind
Protein group
Organism
Mycobacterium tuberculosis
Pharmacological action
Unknown
General Function
Involved in nitrogen metabolism via ammonium assimilation. Catalyzes the ATP-dependent biosynthesis of glutamine from glutamate and ammonia (PubMed:7937767, PubMed:12819079). Also able to use GTP (PubMed:7937767). D-glutamate is a poor substrate, and DL-glutamate shows about 50% of the standard specific activity (PubMed:7937767). Also plays a key role in controlling the ammonia levels within infected host cells and so contributes to the pathogens capacity to inhibit phagosome acidification and phagosome-lysosome fusion (PubMed:7937767, PubMed:12819079). Involved in cell wall biosynthesis via the production of the major component poly-L-glutamine (PLG) (PubMed:7937767, PubMed:10618433). PLG synthesis in the cell wall occurs only in nitrogen limiting conditions and on the contrary high nitrogen conditions inhibit PLG synthesis (Probable).
Specific Function
Atp binding

Components:
Kind
Protein
Organism
Antarctic bacterium DS2-3R
Pharmacological action
Unknown
General Function
Citrate synthase activity
Specific Function
Involved in the catabolism of short chain fatty acids (SCFA) via the tricarboxylic acid (TCA)(acetyl degradation route) and via the 2-methylcitrate cycle I (propionate degradation route). Catalyzes...
Gene Name
gltA
Uniprot ID
O34002
Uniprot Name
2-methylcitrate synthase
Molecular Weight
41832.0 Da
Kind
Protein
Organism
Trypanosoma brucei brucei
Pharmacological action
Unknown
General Function
Prostaglandin-f synthase activity
Specific Function
Catalyzes the NADP-dependent formation of prostaglandin F2-alpha from prostaglandin H2. Has also aldo/ketoreductase activity towards the synthetic substrates 9,10-phenanthrenequinone and p-nitroben...
Gene Name
Not Available
Uniprot ID
Q9GV41
Uniprot Name
Prostaglandin F synthase
Molecular Weight
30992.385 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Amp binding
Specific Function
Catalyzes a salvage reaction resulting in the formation of AMP, that is energically less costly than de novo synthesis.
Gene Name
APRT
Uniprot ID
P07741
Uniprot Name
Adenine phosphoribosyltransferase
Molecular Weight
19607.535 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
Pharmacological action
Unknown
General Function
Nucleotide binding
Specific Function
Catalyzes the formation of dTDP-glucose, from dTTP and glucose 1-phosphate, as well as its pyrophosphorolysis.
Gene Name
rmlA
Uniprot ID
Q9HU22
Uniprot Name
Glucose-1-phosphate thymidylyltransferase
Molecular Weight
32456.65 Da
Kind
Protein
Organism
Bacillus cereus (strain ATCC 14579 / DSM 31)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q81F54
Uniprot Name
Glyoxalase family protein
Molecular Weight
16581.885 Da
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Copper ion binding
Specific Function
Not Available
Gene Name
yfiH
Uniprot ID
P33644
Uniprot Name
Laccase domain protein YfiH
Molecular Weight
26338.69 Da
Kind
Protein
Organism
Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Pharmacological action
Unknown
General Function
Ribose-5-phosphate isomerase activity
Specific Function
Catalyzes the reversible conversion of ribose-5-phosphate to ribulose 5-phosphate.
Gene Name
rpiA
Uniprot ID
P44725
Uniprot Name
Ribose-5-phosphate isomerase A
Molecular Weight
23093.47 Da
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Pyrophosphatase activity
Specific Function
Catalyzes the synthesis of GMP from XMP.
Gene Name
guaA
Uniprot ID
P04079
Uniprot Name
GMP synthase [glutamine-hydrolyzing]
Molecular Weight
58678.78 Da
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Xtp diphosphatase activity
Specific Function
Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triposphate (dHAPTP) an...
Gene Name
ITPA
Uniprot ID
Q9BY32
Uniprot Name
Inosine triphosphate pyrophosphatase
Molecular Weight
21445.495 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Kind
Protein
Organism
Enterobacteria phage P1
Pharmacological action
Unknown
General Function
Lysozyme activity
Specific Function
Essential for lysis of bacterial cell wall, by showing cell wall hydrolyzing activity.
Gene Name
17
Uniprot ID
Q37875
Uniprot Name
Lysozyme
Molecular Weight
20256.17 Da
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q9X1F0
Uniprot Name
Glycerol uptake operon antiterminator regulatory protein
Molecular Weight
19296.645 Da
Kind
Protein
Organism
Pseudomonas putida
Pharmacological action
Unknown
General Function
3-carboxy-cis,cis-muconate cycloisomerase activity
Specific Function
Catalyzes an anti cycloisomerization.
Gene Name
pcaB
Uniprot ID
P32427
Uniprot Name
3-carboxy-cis,cis-muconate cycloisomerase
Molecular Weight
44675.755 Da
Kind
Protein
Organism
Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)
Pharmacological action
Unknown
General Function
Thiamine pyrophosphate binding
Specific Function
Not Available
Gene Name
pdc
Uniprot ID
P06672
Uniprot Name
Pyruvate decarboxylase
Molecular Weight
60925.005 Da

Transporters

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Sodium-independent organic anion transmembrane transporter activity
Specific Function
Mediates the Na(+)-independent transport of organic anions such as taurocholate, the prostaglandins PGD2, PGE1, PGE2, leukotriene C4, thromboxane B2 and iloprost.
Gene Name
SLCO2B1
Uniprot ID
O94956
Uniprot Name
Solute carrier organic anion transporter family member 2B1
Molecular Weight
76709.98 Da
References
  1. Kobayashi D, Nozawa T, Imai K, Nezu J, Tsuji A, Tamai I: Involvement of human organic anion transporting polypeptide OATP-B (SLC21A9) in pH-dependent transport across intestinal apical membrane. J Pharmacol Exp Ther. 2003 Aug;306(2):703-8. Epub 2003 Apr 30. [Article]

Drug created at June 13, 2005 13:24 / Updated at November 08, 2022 23:43