BioLiP

PDB

BioLiP

PDB CCD ID:

I3Y

Number of entries in BioLiP:

Chemical formula:

C9 H8 N O3 V

InChI:

InChI=1S/C9H7NO.2H2O.V/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;2*1H2;/q;;;+4/p-3

InChIKey:

VHSPINZPWRCWRI-UHFFFAOYSA-K

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2ccc[n+]3c2c(c1)O[V]3(O)O
CACTVS 3.385	O[V]1(O)Oc2cccc3ccc[n+]1c23

Name:

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

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).