BioLiP

PDB

BioLiP

PDB CCD ID:

VTZ

Number of entries in BioLiP:

Chemical formula:

C8 H10 N O6 V

InChI:

InChI=1S/C8H11NO2.4O.V/c1-3-6-8(11)7(10)4-5-9(6)2;;;;;/h4-5,11H,3H2,1-2H3;;;;;/q;;3*-1;+4/p-1

InChIKey:

PNFKDCNTOXLWCD-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC1=C2C(=[O-][V+4](=O)(O2)([O-])([O-])[O-])C=CN1C
CACTVS 3.385	CCC1=C2O[V+4]([O-])([O-])([O-])(=O)[O-]=C2C=CN1C

Name:

1-methyl-2-ethyl-3-hydroxy-4(1H)-pyridinone)V(IV)O4

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).