DrugBank: N-Carboxymethionine (DB02899)

targets (7)

Identification

Name

N-Carboxymethionine

Accession Number

DB02899 (EXPT01067)

Type

small molecule

Groups

experimental

Description

Not Available

Structure

Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure

Synonyms

Not Available

Salts

Not Available

Brand names

Not Available

Brand mixtures

Not Available

Categories

Not Available

CAS number

Not Available

Weight

Average: 193.221
Monoisotopic: 193.040878535

Chemical Formula

C₆H₁₁NO₄S

InChI Key

InChIKey=LWQBAQJPCYBWJQ-BYPYZUCNSA-N

InChI

InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

Plain Text

IUPAC Name

(2S)-2-(carboxyamino)-4-(methylsulfanyl)butanoic acid

SMILES

[H][C@@](CCSC)(NC(O)=O)C(O)=O

Plain Text

Mass Spec

Not Available

Taxonomy

Kingdom

Not Available

Classes

Not Available

Substructures

Not Available

Pharmacology

Indication

Not Available

Pharmacodynamics

Not Available

Mechanism of action

Not Available

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

Toxicity

Not Available

Affected organisms

Not Available

Pathways

Not Available

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	7.08e+00 g/l	ALOGPS
logP	-0.03	ALOGPS
logP	0.36	ChemAxon
logS	-1.4	ALOGPS
pKa (strongest acidic)	3.48	ChemAxon
physiological charge	-2	ChemAxon
hydrogen acceptor count	4	ChemAxon
hydrogen donor count	3	ChemAxon
polar surface area	86.63	ChemAxon
rotatable bond count	5	ChemAxon
refractivity	43.88	ChemAxon
polarizability	18.44	ChemAxon

References

Synthesis Reference

Not Available

General Reference

Not Available

External Links

Resource	Link
PubChem Compound	17753927
PubChem Substance	46508277
ChemSpider	16743925
HET	CXM

ATC Codes

Not Available

AHFS Codes

Not Available

PDB Entries

1BJG

FDA label

Not Available

MSDS

Not Available

Interactions

Drug Interactions

Not Available

Food Interactions

Not Available

Targets
1. Thymidylate synthase Pharmacological action: unknown Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation Organism class: bacterial UniProt ID: P0A884 Gene: thyA Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed 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. Pubmed 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. Pubmed 2. Urease subunit alpha Pharmacological action: unknown Urea + H(2)O = CO(2) + 2 NH(3) Organism class: bacterial UniProt ID: P41020 Gene: ureC Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: 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. Pubmed 3. Urease subunit beta Pharmacological action: unknown Urea + H(2)O = CO(2) + 2 NH(3) Organism class: bacterial UniProt ID: P41021 Gene: ureB Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: 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. Pubmed 4. Urease subunit gamma Pharmacological action: unknown Urea + H(2)O = CO(2) + 2 NH(3) Organism class: bacterial UniProt ID: P41022 Gene: ureA Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: 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. Pubmed 5. Light-harvesting protein B-800/850 alpha chain Pharmacological action: unknown Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers Organism class: bacterial UniProt ID: P26789 Protein Sequence: FASTA References: 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. Pubmed 6. Light-harvesting protein B-800/850 beta chain Pharmacological action: unknown Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers Organism class: bacterial UniProt ID: P26790 Protein Sequence: FASTA References: 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. Pubmed 7. Probable rRNA methylase Pharmacological action: unknown Organism class: bacterial UniProt ID: Q5SII2 Gene: TTHA1387 Protein Sequence: FASTA Gene Sequence: FASTA SNPs: SNPJam Report References: 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. Pubmed

Targets

1. Thymidylate synthase

Pharmacological action: unknown

Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation

Organism class: bacterial
UniProt ID: P0A884 Link_out

Gene: thyA
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
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. Pubmed
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. Pubmed

2. Urease subunit alpha

Pharmacological action: unknown

Urea + H(2)O = CO(2) + 2 NH(3)

Organism class: bacterial
UniProt ID: P41020 Link_out

Gene: ureC Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

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. Pubmed

3. Urease subunit beta

Pharmacological action: unknown

Urea + H(2)O = CO(2) + 2 NH(3)

Organism class: bacterial
UniProt ID: P41021 Link_out

Gene: ureB Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

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. Pubmed

4. Urease subunit gamma

Pharmacological action: unknown

Urea + H(2)O = CO(2) + 2 NH(3)

Organism class: bacterial
UniProt ID: P41022 Link_out

Gene: ureA Link_out

Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

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. Pubmed

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

Pharmacological action: unknown

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

Organism class: bacterial
UniProt ID: P26789 Link_out

Protein Sequence: FASTA

References:

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. Pubmed

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

Pharmacological action: unknown

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

Organism class: bacterial
UniProt ID: P26790 Link_out

Protein Sequence: FASTA

References:

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. Pubmed

7. Probable rRNA methylase

Pharmacological action: unknown
Organism class: bacterial
UniProt ID: Q5SII2 Link_out

Gene: TTHA1387
Protein Sequence: FASTA
Gene Sequence: FASTA
SNPs: SNPJam Report Link_out

References:

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. Pubmed

Comments

Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:21