BioLiP

PDB

BioLiP

PDB CCD ID:

HGS

Number of entries in BioLiP:

Chemical formula:

C11 H19 N3 O6 S

InChI:

InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7+/m1/s1

InChIKey:

HKBNQXMLSMKLJV-RQJHMYQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0	C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H](C(=O)O)N
CACTVS 3.352	N[CH](CCC(=O)N[CH](CS)C(=O)NCCC(O)=O)C(O)=O
CACTVS 3.352	N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCCC(O)=O)C(O)=O

Name:

D-gamma-glutamyl-L-cysteinyl-beta-alanine

ZINC:

ZINC000006292519

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).