BioLiP

PDB

BioLiP

PDB CCD ID:

AIV

Number of entries in BioLiP:

Chemical formula:

C12 H9 N2 O6 V

InChI:

InChI=1S/2C6H5NO2.H2O.O.V/c2*8-6(9)5-3-1-2-4-7-5;;;/h2*1-4H,(H,8,9);1H2;;/q;;;;+8/p-3

InChIKey:

MPIJUROFANKBHX-UHFFFAOYSA-K

SMILES:

Software	SMILES
ACDLabs 12.01	O=C4O[V+3]2(=O)(O)(OC(=O)c1[n+]2cccc1)[n+]3ccccc34
CACTVS 3.385	O[V+3]12(=O)(OC(=O)c3cccc[n+]13)OC(=O)c4cccc[n+]24
OpenEye OEToolkits 1.9.2	c1cc[n+]2c(c1)C(=O)O[V+3]23(=O)([n+]4ccccc4C(=O)O3)O

Name:

hydroxy(oxo)bis(pyridine-2-carboxylato-kappa~2~N,O)vanadium(3+)

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).