Dodecyldimethylamine N-oxide

Identification

Generic Name

Dodecyldimethylamine N-oxide

DrugBank Accession Number

DB04147

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

3D

Download

MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Dodecyldimethylamine N-oxide (DB04147)

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Weight

Average: 229.402
Monoisotopic: 229.240564619

Chemical Formula

C₁₄H₃₁NO

Synonyms

• Dimethylaurylamine oxide
• Dimethyldodecylamine N-oxide
• Dimethyldodecylamine oxide
• Dodecyl(dimethyl)amine oxide
• Dodecyldimethylamine oxide
• Lauramine oxide
• Lauryl dimethylamine-N-oxide
• lauryldimethylamine N-oxide
• Lauryldimethylamine oxide
• n-Dodecyldimethylamine oxide
• N,N-Dimethyldodecylamine oxide

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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UReaction center protein L chain	Not Available	Rhodobacter sphaeroides
UReaction center protein M chain	Not Available	Rhodobacter sphaeroides
UReaction center protein H chain	Not Available	Rhodobacter sphaeroides
UCytochrome c oxidase subunit 1-beta	Not Available	Paracoccus denitrificans
UCytochrome c oxidase subunit 2	Not Available	Paracoccus denitrificans
UIg kappa chain V-I region Bi	Not Available	Humans
UIg heavy chain V-III region VH26	Not Available	Humans
UPhotosynthetic reaction center cytochrome c subunit	Not Available	Rhodopseudomonas viridis
UReaction center protein H chain	Not Available	Rhodopseudomonas viridis
UReaction center protein L chain	Not Available	Rhodopseudomonas viridis
UReaction center protein M chain	Not Available	Rhodopseudomonas viridis
UH subunit of photosynthetic reaction center complex	Not Available	Thermochromatium tepidum
UDestrin	Not Available	Humans
URhodopsin	Not Available	Humans
UCytochrome c2	Not Available	Rhodobacter sphaeroides
UNuclear factor erythroid 2-related factor 1	Not Available	Humans
USqualene--hopene cyclase	Not Available	Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / 104-1A)
UVitamin B12 transporter BtuB	Not Available	Escherichia coli (strain K12)
UColicin-E3	Not Available	Escherichia coli
UFe(3+)-pyochelin receptor	Not Available	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
UMyelin P2 protein	Not Available	Humans
UOuter membrane protein W	Not Available	Escherichia coli (strain K12)
ULight-harvesting protein B-800/850 alpha chain	Not Available	Rhodopseudomonas acidophila
ULight-harvesting protein B-800/850 beta chain	Not Available	Rhodopseudomonas acidophila
UProtein TonB	Not Available	Escherichia coli (strain K12)
UColicin I receptor	Not Available	Escherichia coli (strain K12)
UColicin-Ia	Not Available	Escherichia coli
UCofilin-1	Not Available	Humans
URhomboid protease GlpG	Not Available	Escherichia coli (strain K12)
UOuter membrane protein G	Not Available	Escherichia coli (strain K12)
UOuter membrane usher protein PapC	Not Available	Escherichia coli
UProbable N-acetylneuraminic acid outer membrane channel protein NanC	Not Available	Escherichia coli (strain K12)
UReaction center protein H chain	Not Available	Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)
UReaction center protein L chain	Not Available	Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)
UReaction center protein M chain	Not Available	Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)
UOuter membrane protein II	Not Available	Neisseria meningitidis
UCyclic nucleotide-gated potassium channel mll3241	Not Available	Rhizobium loti (strain MAFF303099)
UAmmonia channel	Not Available	Escherichia coli (strain K12)
UPenicillin-binding protein 2	Not Available	Staphylococcus aureus (strain COL)
UDihydroorotate dehydrogenase (quinone), mitochondrial	Not Available	Humans
UTraO protein	Not Available	Escherichia coli
UTraF protein	Not Available	Escherichia coli
UTraN protein	Not Available	Escherichia coli
UOuter membrane porin, OprD family	Not Available	Pseudomonas fluorescens (strain Pf-5 / ATCC BAA-477)
UFe(3+) dicitrate transport protein FecA	Not Available	Escherichia coli (strain K12)
ULong-chain fatty acid transport protein	Not Available	Escherichia coli (strain K12)
ULipid A palmitoyltransferase PagP	Not Available	Escherichia coli (strain K12)
UAcyl-CoA thioesterase 2	Not Available	Escherichia coli (strain K12)
UAmine oxidase [flavin-containing] B	ligand	Humans

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

Not Available

Pathways

Not Available

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.

Not Available

Food Interactions

Not Available

Categories

Drug Categories

• Amines
• Compounds used in a research, industrial, or household setting
• Detergents
• Household Products
• Methylamines
• Surface-Active Agents

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as long-chain alkyl amine oxides. These are aminoxides that carry an alkyl chain ranging from C10 to C24.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Aminoxides

Direct Parent

Long-chain alkyl amine oxides

Alternative Parents

Trialkyl amine oxides / Trisubstituted amine oxides and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives

Substituents

Aliphatic acyclic compound / Hydrocarbon derivative / Long-chain alkyl amine oxide / N-oxide / Organic oxide / Organic oxygen compound / Organopnictogen compound / Trialkyl amine oxide / Trisubstituted n-oxide

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII

4F6FC4MI8W

CAS number

1643-20-5

InChI Key

SYELZBGXAIXKHU-UHFFFAOYSA-N

InChI

InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3

IUPAC Name

N,N-dimethyldodecanamine oxide

SMILES

CCCCCCCCCCCC[N+](C)(C)[O-]

References

General References

Not Available

External Links

PubChem Compound

15433

PubChem Substance

46506355

ChemSpider

14688

BindingDB

50327308

ChEBI

131762

ChEMBL

CHEMBL1233973

ZINC

ZINC000002039372

PDBe Ligand

LDA

PDB Entries

1aij / 1ar1 / 1c8u / 1ds8 / 1dv3 / 1dv6 / 1dxr / 1e14 / 1e6d / 1eys …

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Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Not Available

Prices

Not Available

Patents

Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.00015 mg/mL	ALOGPS
logP	2.23	ALOGPS
logP	3.95	Chemaxon
logS	-6.2	ALOGPS
pKa (Strongest Basic)	4.48	Chemaxon
Physiological Charge	0	Chemaxon
Hydrogen Acceptor Count	1	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	23.06 Å2	Chemaxon
Rotatable Bond Count	11	Chemaxon
Refractivity	72.71 m3·mol-1	Chemaxon
Polarizability	31.14 Å3	Chemaxon
Number of Rings	0	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	-	0.6364
Blood Brain Barrier	+	0.9767
Caco-2 permeable	+	0.5619
P-glycoprotein substrate	Non-substrate	0.5383
P-glycoprotein inhibitor I	Non-inhibitor	0.9193
P-glycoprotein inhibitor II	Non-inhibitor	0.9455
Renal organic cation transporter	Non-inhibitor	0.7347
CYP450 2C9 substrate	Non-substrate	0.8883
CYP450 2D6 substrate	Non-substrate	0.7262
CYP450 3A4 substrate	Substrate	0.5343
CYP450 1A2 substrate	Non-inhibitor	0.7352
CYP450 2C9 inhibitor	Non-inhibitor	0.8891
CYP450 2D6 inhibitor	Non-inhibitor	0.8988
CYP450 2C19 inhibitor	Non-inhibitor	0.786
CYP450 3A4 inhibitor	Non-inhibitor	0.8166
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.9797
Ames test	Non AMES toxic	0.7186
Carcinogenicity	Carcinogens	0.8192
Biodegradation	Ready biodegradable	0.7562
Rat acute toxicity	2.6758 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.6572
hERG inhibition (predictor II)	Non-inhibitor	0.518

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-03fu-9400000000-cf1bcbf584a74edc2a5b
LC-MS/MS Spectrum - LC-ESI-QFT , positive	LC-MS/MS	splash10-053r-5090000000-aa2a283929dbfc2371fa
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	179.4293165	predicted	DarkChem Lite v0.1.0
[M-H]-	178.8611165	predicted	DarkChem Lite v0.1.0
[M-H]-	159.16661	predicted	DeepCCS 1.0 (2019)
[M+H]+	179.7557165	predicted	DarkChem Lite v0.1.0
[M+H]+	178.9290165	predicted	DarkChem Lite v0.1.0
[M+H]+	163.16344	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.1432165	predicted	DarkChem Lite v0.1.0
[M+Na]+	178.8060165	predicted	DarkChem Lite v0.1.0
[M+Na]+	172.10716	predicted	DeepCCS 1.0 (2019)

Targets

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Details1. Reaction center protein L chain

Kind

Protein

Organism

Rhodobacter sphaeroides

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Gene Name

pufL

Uniprot ID

P0C0Y8

Uniprot Name

Reaction center protein L chain

Molecular Weight

31456.505 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]

Details2. Reaction center protein M chain

Kind

Protein

Organism

Rhodobacter sphaeroides

Pharmacological action

Unknown

General Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Specific Function

Bacteriochlorophyll binding

Gene Name

pufM

Uniprot ID

P0C0Y9

Uniprot Name

Reaction center protein M chain

Molecular Weight

34508.725 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]

Details3. Reaction center protein H chain

Kind

Protein

Organism

Rhodobacter sphaeroides

Pharmacological action

Unknown

General Function

Electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity

Specific Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Gene Name

puhA

Uniprot ID

P0C0Y7

Uniprot Name

Reaction center protein H chain

Molecular Weight

28035.115 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]

Details4. Cytochrome c oxidase subunit 1-beta

Kind

Protein

Organism

Paracoccus denitrificans

Pharmacological action

Unknown

General Function

Iron ion binding

Specific Function

Subunit I and II form the functional core of the enzyme complex. Electrons originating in cytochrome c are transferred via heme a and Cu(A) to the binuclear center formed by heme a3 and Cu(B). This...

Gene Name

ctaDII

Uniprot ID

P98002

Uniprot Name

Cytochrome c oxidase subunit 1-beta

Molecular Weight

62438.635 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]

Details5. Cytochrome c oxidase subunit 2

Kind

Protein

Organism

Paracoccus denitrificans

Pharmacological action

Unknown

General Function

Cytochrome-c oxidase activity

Specific Function

Subunits I and II form the functional core of the enzyme complex. Electrons originating in cytochrome c are transferred via heme a and Cu(A) to the binuclear center formed by heme a3 and Cu(B).

Gene Name

ctaC

Uniprot ID

P08306

Uniprot Name

Cytochrome c oxidase subunit 2

Molecular Weight

32538.495 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]

Details6. Ig kappa chain V-I region Bi

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Antigen binding

Specific Function

Not Available

Gene Name

Not Available

Uniprot ID

P01593

Uniprot Name

Ig kappa chain V-I region Bi

Molecular Weight

12026.335 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]

Details7. Ig heavy chain V-III region VH26

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Immunoglobulin receptor binding

Specific Function

Not Available

Gene Name

IGHV3-23

Uniprot ID

P01764

Uniprot Name

Ig heavy chain V-III region 23

Molecular Weight

12582.21 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]

Details8. Photosynthetic reaction center cytochrome c subunit

Kind

Protein

Organism

Rhodopseudomonas viridis

Pharmacological action

Unknown

General Function

Iron ion binding

Specific Function

The reaction center of purple bacteria contains a tightly bound cytochrome molecule which re-reduces the photo oxidized primary electron donor.

Gene Name

pufC

Uniprot ID

P07173

Uniprot Name

Photosynthetic reaction center cytochrome c subunit

Molecular Weight

39370.915 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]

Details9. Reaction center protein H chain

Kind

Protein

Organism

Rhodopseudomonas viridis

Pharmacological action

Unknown

General Function

Electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity

Specific Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Gene Name

puhA

Uniprot ID

P06008

Uniprot Name

Reaction center protein H chain

Molecular Weight

28498.245 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]

Details10. Reaction center protein L chain

Kind

Protein

Organism

Rhodopseudomonas viridis

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Gene Name

pufL

Uniprot ID

P06009

Uniprot Name

Reaction center protein L chain

Molecular Weight

30578.225 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]

Details11. Reaction center protein M chain

Kind

Protein

Organism

Rhodopseudomonas viridis

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Gene Name

pufM

Uniprot ID

P06010

Uniprot Name

Reaction center protein M chain

Molecular Weight

36035.285 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]

Details12. H subunit of photosynthetic reaction center complex

Kind

Protein

Organism

Thermochromatium tepidum

Pharmacological action

Unknown

General Function

Electron transporter, transferring electrons within the cyclic electron transport pathway of photosynthesis activity

Specific Function

Not Available

Gene Name

puhA

Uniprot ID

Q93RD8

Uniprot Name

H subunit of photosynthetic reaction center complex

Molecular Weight

27846.75 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]

Details13. Destrin

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Actin-depolymerizing protein. Severs actin filaments (F-actin) and binds to actin monomers (G-actin). Acts in a pH-independent manner.

Gene Name

DSTN

Uniprot ID

P60981

Uniprot Name

Destrin

Molecular Weight

18505.54 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]

Details14. Rhodopsin

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Photoreceptor activity

Specific Function

Photoreceptor required for image-forming vision at low light intensity. Required for photoreceptor cell viability after birth. Light-induced isomerization of 11-cis to all-trans retinal triggers a ...

Gene Name

RHO

Uniprot ID

P08100

Uniprot Name

Rhodopsin

Molecular Weight

38892.335 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]

Details15. Cytochrome c2

Kind

Protein

Organism

Rhodobacter sphaeroides

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

Cytochrome c2 is found mainly in purple, non-sulfur, photosynthetic bacteria where it functions as the electron donor to the oxidized bacteriochlorophyll in the photophosphorylation pathway. Howeve...

Gene Name

cycA

Uniprot ID

P0C0X8

Uniprot Name

Cytochrome c2

Molecular Weight

13469.045 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]

Details16. Nuclear factor erythroid 2-related factor 1

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Transcriptional activator activity, rna polymerase ii transcription factor binding

Specific Function

Activates erythroid-specific, globin gene expression.

Gene Name

NFE2L1

Uniprot ID

Q14494

Uniprot Name

Nuclear factor erythroid 2-related factor 1

Molecular Weight

84702.845 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]

Details17. Squalene--hopene cyclase

Kind

Protein

Organism

Alicyclobacillus acidocaldarius subsp. acidocaldarius (strain ATCC 27009 / DSM 446 / 104-1A)

Pharmacological action

Unknown

General Function

Squalene-hopene cyclase activity

Specific Function

Catalyzes the cyclization of squalene into hopene.

Gene Name

shc

Uniprot ID

P33247

Uniprot Name

Squalene--hopene cyclase

Molecular Weight

71569.67 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]

Details18. Vitamin B12 transporter BtuB

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Receptor activity

Specific Function

Involved in the active translocation of vitamin B12 (cyanocobalamin) across the outer membrane to the periplasmic space. It derives its energy for transport by interacting with the trans-periplasmi...

Gene Name

btuB

Uniprot ID

P06129

Uniprot Name

Vitamin B12 transporter BtuB

Molecular Weight

68406.715 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]

Details19. Colicin-E3

Kind

Protein

Organism

Escherichia coli

Pharmacological action

Unknown

General Function

Rna binding

Specific Function

Inactivates ribosomes by hydrolyzing 16S RNA in 30S ribosomes at a specific site.Colicins are polypeptide toxins produced by and active against E.coli and closely related bacteria.

Gene Name

ceaC

Uniprot ID

P00646

Uniprot Name

Colicin-E3

Molecular Weight

57962.76 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]

Details20. Fe(3+)-pyochelin receptor

Kind

Protein

Organism

Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)

Pharmacological action

Unknown

General Function

Receptor activity

Specific Function

High-affinity outer membrane receptor required for the transport of Fe(3+)-pyochelin.

Gene Name

fptA

Uniprot ID

P42512

Uniprot Name

Fe(3+)-pyochelin receptor

Molecular Weight

79991.475 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]

Details21. Myelin P2 protein

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Transporter activity

Specific Function

May play a role in lipid transport protein in Schwann cells. May bind cholesterol.

Gene Name

PMP2

Uniprot ID

P02689

Uniprot Name

Myelin P2 protein

Molecular Weight

14909.305 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]

Details22. Outer membrane protein W

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Acts as a receptor for colicin S4.

Gene Name

ompW

Uniprot ID

P0A915

Uniprot Name

Outer membrane protein W

Molecular Weight

22927.675 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]

Details23. Light-harvesting protein B-800/850 alpha chain

Kind

Protein

Organism

Rhodopseudomonas acidophila

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers.

Gene Name

Not Available

Uniprot ID

P26789

Uniprot Name

Light-harvesting protein B-800/850 alpha chain

Molecular Weight

5653.73 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]

Details24. Light-harvesting protein B-800/850 beta chain

Kind

Protein

Organism

Rhodopseudomonas acidophila

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers.

Gene Name

Not Available

Uniprot ID

P26790

Uniprot Name

Light-harvesting protein B-800/850 beta chain

Molecular Weight

4554.18 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]

Details25. Protein TonB

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Siderophore transmembrane transporter activity

Specific Function

Interacts with outer membrane receptor proteins that carry out high-affinity binding and energy dependent uptake into the periplasmic space of specific substrates such as cobalamin, and various iro...

Gene Name

tonB

Uniprot ID

P02929

Uniprot Name

Protein TonB

Molecular Weight

26094.07 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]

Details26. Colicin I receptor

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Siderophore transmembrane transporter activity

Specific Function

Not yet known. Postulated to participate in iron transport. Outer membrane receptor for colicins IA and IB.

Gene Name

cirA

Uniprot ID

P17315

Uniprot Name

Colicin I receptor

Molecular Weight

73895.2 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]

Details27. Colicin-Ia

Kind

Protein

Organism

Escherichia coli

Pharmacological action

Unknown

General Function

Not Available

Specific Function

This colicin is a channel-forming colicin. This class of transmembrane toxins depolarize the cytoplasmic membrane, leading to dissipation of cellular energy.Colicins are polypeptide toxins produced...

Gene Name

cia

Uniprot ID

P06716

Uniprot Name

Colicin-Ia

Molecular Weight

69428.235 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]

Details28. Cofilin-1

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Binds to F-actin and exhibits pH-sensitive F-actin depolymerizing activity. Regulates actin cytoskeleton dynamics. Important for normal progress through mitosis and normal cytokinesis. Plays a role...

Gene Name

CFL1

Uniprot ID

P23528

Uniprot Name

Cofilin-1

Molecular Weight

18502.315 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]

Details29. Rhomboid protease GlpG

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Serine-type endopeptidase activity

Specific Function

Rhomboid-type serine protease that catalyzes intramembrane proteolysis.

Gene Name

glpG

Uniprot ID

P09391

Uniprot Name

Rhomboid protease GlpG

Molecular Weight

31306.455 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]

Details30. Outer membrane protein G

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Porin activity

Specific Function

Forms channels functionally larger than those of classical porins.May act as a regulator of the RCS-phosphorelay signal transduction pathway.

Gene Name

ompG

Uniprot ID

P76045

Uniprot Name

Outer membrane protein G

Molecular Weight

34913.04 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]

Details31. Outer membrane usher protein PapC

Kind

Protein

Organism

Escherichia coli

Pharmacological action

Unknown

General Function

Transporter activity

Specific Function

Involved in the export and assembly of pili subunits across the outer membrane. Forms a hexameric ring-shaped pore in the outer bacterial membrane. The 2 nanometer-diameter pore allows the passage ...

Gene Name

papC

Uniprot ID

P07110

Uniprot Name

Outer membrane usher protein PapC

Molecular Weight

91508.325 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]

Details32. Probable N-acetylneuraminic acid outer membrane channel protein NanC

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Sialic acid transmembrane transporter activity

Specific Function

Outer membrane channel protein allowing the entry of N-acetylneuraminic acid (Neu5Ac, the most abundant sialic acid on host cell surfaces) into the bacteria (Probable). NanC proteins form high-cond...

Gene Name

nanC

Uniprot ID

P69856

Uniprot Name

Probable N-acetylneuraminic acid outer membrane channel protein NanC

Molecular Weight

27887.855 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]

Details33. Reaction center protein H chain

Kind

Protein

Organism

Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)

Pharmacological action

Unknown

General Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Specific Function

Bacteriochlorophyll binding

Gene Name

puhA

Uniprot ID

Q3J170

Uniprot Name

Reaction center protein H chain

Molecular Weight

28035.115 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]

Details34. Reaction center protein L chain

Kind

Protein

Organism

Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)

Pharmacological action

Unknown

General Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Specific Function

Bacteriochlorophyll binding

Gene Name

pufL

Uniprot ID

Q3J1A5

Uniprot Name

Reaction center protein L chain

Molecular Weight

31456.505 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]

Details35. Reaction center protein M chain

Kind

Protein

Organism

Rhodobacter sphaeroides (strain ATCC 17023 / 2.4.1 / NCIB 8253 / DSM 158)

Pharmacological action

Unknown

General Function

Metal ion binding

Specific Function

The reaction center is a membrane-bound complex that mediates the initial photochemical event in the electron transfer process of photosynthesis.

Gene Name

pufM

Uniprot ID

Q3J1A6

Uniprot Name

Reaction center protein M chain

Molecular Weight

34508.725 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]

Details36. Outer membrane protein II

Kind

Protein

Organism

Neisseria meningitidis

Pharmacological action

Unknown

General Function

Porin activity

Specific Function

Not Available

Gene Name

porB

Uniprot ID

Q5RT80

Uniprot Name

Outer membrane protein II

Molecular Weight

34594.065 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]

Details37. Cyclic nucleotide-gated potassium channel mll3241

Kind

Protein

Organism

Rhizobium loti (strain MAFF303099)

Pharmacological action

Unknown

General Function

Voltage-gated potassium channel activity

Specific Function

Cyclic nucleotide-regulated potassium channel activated by cAMP.

Gene Name

Not Available

Uniprot ID

Q98GN8

Uniprot Name

Cyclic nucleotide-gated potassium channel mll3241

Molecular Weight

37735.0 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]

Details38. Ammonia channel

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Uniporter activity

Specific Function

Involved in the uptake of ammonia.

Gene Name

amtB

Uniprot ID

P69681

Uniprot Name

Ammonia channel

Molecular Weight

44514.335 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]

Details39. Penicillin-binding protein 2

Kind

Protein

Organism

Staphylococcus aureus (strain COL)

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Penicillin binding

Gene Name

pbp2

Uniprot ID

A0A0H2WWQ9

Uniprot Name

Penicillin-binding protein 2

Molecular Weight

80425.94 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]

Details40. Dihydroorotate dehydrogenase (quinone), mitochondrial

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

General Function

Ubiquinone binding

Specific Function

Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.

Gene Name

DHODH

Uniprot ID

Q02127

Uniprot Name

Dihydroorotate dehydrogenase (quinone), mitochondrial

Molecular Weight

42866.93 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]

Details41. TraO protein

Kind

Protein

Organism

Escherichia coli

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Not Available

Gene Name

traO

Uniprot ID

Q46704

Uniprot Name

TraO protein

Molecular Weight

32872.315 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]

Details42. TraF protein

Kind

Protein

Organism

Escherichia coli

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Not Available

Gene Name

traF

Uniprot ID

Q46705

Uniprot Name

TraF protein

Molecular Weight

40746.795 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]

Details43. TraN protein

Kind

Protein

Organism

Escherichia coli

Pharmacological action

Unknown

General Function

Not Available

Specific Function

Not Available

Gene Name

traN

Uniprot ID

Q46702

Uniprot Name

TraN protein

Molecular Weight

5130.845 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]

Details44. Outer membrane porin, OprD family

Kind

Protein

Organism

Pseudomonas fluorescens (strain Pf-5 / ATCC BAA-477)

Pharmacological action

Unknown

General Function

Porin activity

Specific Function

Not Available

Gene Name

Not Available

Uniprot ID

Q4KH25

Uniprot Name

Outer membrane porin, OprD family

Molecular Weight

46225.315 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]

Details45. Fe(3+) dicitrate transport protein FecA

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Receptor activity

Specific Function

FecA is the outer membrane receptor protein in the Fe(3+) dicitrate transport system.

Gene Name

fecA

Uniprot ID

P13036

Uniprot Name

Fe(3+) dicitrate transport protein FecA

Molecular Weight

85321.005 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]

Details46. Long-chain fatty acid transport protein

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Long-chain fatty acid transporting porin activity

Specific Function

Involved in translocation of long-chain fatty acids across the outer membrane. It is a receptor for the bacteriophage T2. FadL may form a specific channel.

Gene Name

fadL

Uniprot ID

P10384

Uniprot Name

Long-chain fatty acid transport protein

Molecular Weight

48541.205 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]

Details47. Lipid A palmitoyltransferase PagP

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

O-palmitoyltransferase activity

Specific Function

PagP is required both for biosynthesis of hepta-acylated lipid A species containing palmitate and for resistance to cationic antimicrobial peptides (CAMPs). It catalyzes the transfer of a palmitate...

Gene Name

pagP

Uniprot ID

P37001

Uniprot Name

Lipid A palmitoyltransferase PagP

Molecular Weight

21769.475 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]

Details48. Acyl-CoA thioesterase 2

Kind

Protein

Organism

Escherichia coli (strain K12)

Pharmacological action

Unknown

General Function

Acyl-coa hydrolase activity

Specific Function

Can hydrolyze a broad range of acyl-CoA thioesters. Its physiological function is not known.

Gene Name

tesB

Uniprot ID

P0AGG2

Uniprot Name

Acyl-CoA thioesterase 2

Molecular Weight

31966.095 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]

Details49. Amine oxidase [flavin-containing] B

Kind

Protein

Organism

Humans

Pharmacological action

Unknown

Actions

Ligand

General Function

Primary amine oxidase activity

Specific Function

Catalyzes the oxidative deamination of biogenic and xenobiotic amines and has important functions in the metabolism of neuroactive and vasoactive amines in the central nervous system and peripheral...

Gene Name

MAOB

Uniprot ID

P27338

Uniprot Name

Amine oxidase [flavin-containing] B

Molecular Weight

58762.475 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]
2. Binda C, Li M, Hubalek F, Restelli N, Edmondson DE, Mattevi A: Insights into the mode of inhibition of human mitochondrial monoamine oxidase B from high-resolution crystal structures. Proc Natl Acad Sci U S A. 2003 Aug 19;100(17):9750-5. Epub 2003 Aug 11. [Article]

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Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52