BioLiP

PDB

BioLiP

PDB CCD ID:

CZ2

Number of entries in BioLiP:

Chemical formula:

C3 H8 As N O4 S

InChI:

InChI=1S/C3H8AsNO4S/c5-2(3(6)7)1-10-4(8)9/h2,8-9H,1,5H2,(H,6,7)/t2-/m0/s1

InChIKey:

FZFDBYKEUGDOOP-REOHCLBHSA-N

SMILES:

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

Name:

S-(DIHYDROXYARSINO)CYSTEINE;
THIARSA DIHYDROXY CYSTEINE

DrugBank:

DB03289

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).