BioLiP

PDB

BioLiP

PDB CCD ID:

A1ITS

Number of entries in BioLiP:

Chemical formula:

C5 H13 As N O4

InChI:

InChI=1S/C5H13AsNO4/c1-6(2,10)11-3-4(7)5(8)9/h4,6H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1

InChIKey:

RHSGPVBAOTUISV-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[AsH](=O)(C)OC[C@@H](C(=O)O)N
CACTVS 3.385	C[AsH](C)(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7	C[AsH](=O)(C)OCC(C(=O)O)N
CACTVS 3.385	C[AsH](C)(=O)OC[CH](N)C(O)=O

Name:

S-dimethylarsinoyl-serine

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).