BioLiP

PDB

BioLiP

PDB CCD ID:

A1H23

Number of entries in BioLiP:

Chemical formula:

C18 H12 N2 O4 V

InChI:

InChI=1S/2C9H7NO.2O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-6,11H;;;/q;;;;+2/p-2

InChIKey:

OZVTWOAUPDJZJU-UHFFFAOYSA-L

SMILES:

Software	SMILES
CACTVS 3.385	O=[V]12(=[n]3cccc4cccc(O1)c34)(=[n]5cccc6cccc(O2)c56)=O
OpenEye OEToolkits 2.0.7	C1=CC2=CC=CN=3=C2C(=C1)O[V]34(=N5=C6C(=CC=C5)C=CC=C6O4)(=O)=O

Name:

2-$l^{1}-oxidanyl-2,2'-spirobi[3-oxa-1$l^{4}-aza-2$l^{7}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene] 2-oxide

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).