BioLiP

PDB

BioLiP

PDB CCD ID:

BVA

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O5 V

InChI:

InChI=1S/C7H6NO2.3H2O.V/c9-7(8-10)6-4-2-1-3-5-6;;;;/h1-5H,(H-,8,9,10);3*1H2;/q-1;;;;+4/p-3

InChIKey:

YGVAPMMGCYHYQY-UHFFFAOYSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2=O[V](ON2)(O)(O)O
CACTVS 3.385	O[V](O)(O)ONC(=O)c1ccccc1

Name:

TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE

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).