BioLiP

PDB

BioLiP

PDB CCD ID:

CAF

Number of entries in BioLiP:

Chemical formula:

C5 H12 As N O3 S

InChI:

InChI=1S/C5H12AsNO3S/c1-6(2,10)11-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1

InChIKey:

HBKZDQYWGRUTJX-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[As](=O)(C)SC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	C[As](=O)(C)SCC(C(=O)O)N
CACTVS 3.341	C[As](C)(=O)SC[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CS[As](=O)(C)C
CACTVS 3.341	C[As](C)(=O)SC[C@H](N)C(O)=O

Name:

S-DIMETHYLARSINOYL-CYSTEINE;
CYSTEIN-S-YL CACODYLATE

DrugBank:

DB03676

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).