BioLiP

PDB

BioLiP

PDB CCD ID:

ULB

Number of entries in BioLiP:

Chemical formula:

C16 H15 N3 O

InChI:

InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)

InChIKey:

NPTNHLPXAAOUPO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3

Name:

3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole

ChEMBL:

CHEMBL4851810

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).