BioLiP

PDB

BioLiP

PDB CCD ID:

A1H40

Number of entries in BioLiP:

Chemical formula:

C8 H6 N4 O2

InChI:

InChI=1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)

InChIKey:

MIERACSHCALJOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cccc(c1)c2[nH]nnn2
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)C(=O)O)c2[nH]nnn2

Name:

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

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).