BioLiP

PDB

BioLiP

PDB CCD ID:

GSM

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
CACTVS 3.341	CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.5.0	CSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSC
OpenEye OEToolkits 1.5.0	CSCC(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, Lydia 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).