BioLiP

PDB

BioLiP

PDB CCD ID:

O0L

Number of entries in BioLiP:

Chemical formula:

C14 H12 N4 O2

InChI:

InChI=1S/C14H12N4O2/c19-8-9-4-6-10(7-5-9)11-2-1-3-12(20)13(11)14-15-17-18-16-14/h1-7,19-20H,8H2,(H,15,16,17,18)

InChIKey:

MHFBCDLPGNNTMV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)O)c2[nH]nnn2)c3ccc(cc3)CO
ACDLabs 12.01	OCc1ccc(cc1)c1cccc(O)c1c1nnn[NH]1
CACTVS 3.385	OCc1ccc(cc1)c2cccc(O)c2c3[nH]nnn3

Name:

(2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol

ChEMBL:

CHEMBL5285307

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).