BioLiP

PDB

BioLiP

PDB CCD ID:

A1IOM

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O6 V

InChI:

InChI=1S/C14H14N2O4.2O.V/c1-2-19-11-6-3-5-10(13(11)17)9-15-16-14(18)12-7-4-8-20-12;;;/h3-9,17H,2H2,1H3,(H,16,18);;;/q;;;+2/p-2/b15-9+;;;

InChIKey:

CYYWESREVLZULB-SFRYUHGMSA-L

SMILES:

Software	SMILES
CACTVS 3.385	CCOc1cccc2C=NN=C(O[V](=O)(=O)Oc12)c3occc3
OpenEye OEToolkits 2.0.7	CCOc1cccc2c1O[V]3(=O)(=O)[N](=C2)N=C(O3)c4ccco4

Name:

dioxidovanadium(V) complex with furan-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide;
13-ethoxy-5-(furan-2-yl)-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide

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).