BioLiP

PDB

BioLiP

PDB CCD ID:

L43

Number of entries in BioLiP:

Chemical formula:

C14 H10 N4 O2

InChI:

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

InChIKey:

RYTABHHTUFYVNQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3
CACTVS 3.385	OC(=O)c1cccc(c1)c2ccc(cc2)c3[nH]nnn3

Name:

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

ChEMBL:

CHEMBL4169967

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).