BioLiP

PDB

BioLiP

PDB CCD ID:

A1ION

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O6 V

InChI:

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

InChIKey:

UVZQNCVDJKEIHV-SFRYUHGMSA-L

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc2O[V](=O)(=O)OC(=NN=C(C)c2c1)c3occc3
OpenEye OEToolkits 2.0.7	CC1=[N]2N=C(O[V]2(=O)(=O)Oc3c1cc(cc3)OC)c4ccco4

Name:

dioxidovanadium(V) complex with (E)-N'-(1-(2-hydroxy-5-methoxyphenyl)ethylidene)furan-2-carbohydrazide;
5-(furan-2-yl)-11-methoxy-8-methyl-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).