Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2047)
Drug Name
C-46053
Synonyms
Gamma-Glutamyl-cysteyl-glycin; Glutathionesulfonic acid; ILG-OCS-GLY; SCHEMBL769485; ZINC1616624; glutathione sulfonic acid; (S)-2-Amino-5-(((R)-1-((carboxymethyl)amino)-1-oxo-3-sulfopropan-2-yl)amino)-5-oxopentanoic acid; (S)-2-amino-5-((R)-1-(carboxymethylamino)-1-oxo-3-sulfopropan-2-ylamino)-5-oxopentanoic acid; AC1L9FPV; Glutathione sulfonic acid; DB03003; GTS; L-gamma-glutamyl-3-sulfo-L-alanylglycine
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 355.32 Topological Polar Surface Area 222
Heavy Atom Count 23 Rotatable Bond Count 10
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
444104
CAS Number
3773-07-7
TTD Drug ID
D02HFD
Formula
C10H17N3O9S
Canonical SMILES
C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
InChI
1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1
InChIKey
QGWRMTHFAZVWAM-WDSKDSINSA-N
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Homo sapiens
GGT1_HUMAN
3.4.19.13
[2]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Homo sapiens
GGT5_HUMAN
3.4.19.13
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Gamma-glutamyltranspeptidase 1 (GGT1) DME0498 Km = 0.0346 microM
GGT1_HUMAN
[2]
Gamma-glutamyltranspeptidase 5 (GGT5) DME0432 Km = 0.0346 microM
GGT5_HUMAN
[2]
References
1 DrugBank 5.0: a major update to the DrugBank database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D1074-D1082. (id: DB03003)
2 Gamma-glutamyl compounds: substrate specificity of gamma-glutamyl transpeptidase enzymes. Anal Biochem. 2011 Jul 15;414(2):208-14.

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