BioLiP

PDB

BioLiP

PDB CCD ID:

CGL

Number of entries in BioLiP:

Chemical formula:

C13 H22 N4 O8 S2

InChI:

InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)

InChIKey:

BNRXZEPOHPEEAS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CC(=O)NC(CSSCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
CACTVS 3.370	NC(CCC(=O)NC(CSSCC(N)C(O)=O)C(=O)NCC(O)=O)C(O)=O
ACDLabs 12.01	O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)O)N)CCC(C(=O)O)N

Name:

CYSTINE-GLUTATHIONE

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).