BioLiP

PDB

BioLiP

PDB CCD ID:

V7V

Number of entries in BioLiP:

Chemical formula:

C14 H10 N4 O2

InChI:

InChI=1S/C14H10N4O2/c19-14(20)12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-15-17-18-16-13/h1-8H,(H,19,20)(H,15,16,17,18)

InChIKey:

KEZGIRGXOUGLEM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)c2[nH]nnn2)c3cccc(c3)C(=O)O
CACTVS 3.385	OC(=O)c1cccc(c1)c2cccc(c2)c3[nH]nnn3

Name:

3-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid

ChEMBL:

CHEMBL4162700

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).