BioLiP

PDB

BioLiP

PDB CCD ID:

R2Q

Number of entries in BioLiP:

Chemical formula:

C20 H13 N3

InChI:

InChI=1S/C20H13N3/c21-12-15-5-4-8-17(11-15)18-9-10-20-22-19(14-23(20)13-18)16-6-2-1-3-7-16/h1-11,13-14H

InChIKey:

ZIPMVBBAKJZVIG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N#Cc1cccc(c1)c2ccc3nc(cn3c2)c4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cn3cc(ccc3n2)c4cccc(c4)C#N

Name:

3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile

ChEMBL:

CHEMBL4566360

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).