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BioLiP

PDB CCD ID: GSM
Number of entries in BioLiP: 8
Chemical formula: C11 H19 N3 O6 S
InChI: InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1
InChIKey: QTQDDTSVRVWHMO-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
CACTVS 3.341CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.5.0CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC
OpenEye OEToolkits 1.5.0CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
Name:L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE;
S-METHYL-GLUTATHIONE
ChEMBL: CHEMBL1233129
DrugBank: DB04701
ZINC: ZINC000001532230
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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