BioLiP

PDB

BioLiP

PDB CCD ID:

A1I0V

Number of entries in BioLiP:

Chemical formula:

C22 H19 Cl N4 O

InChI:

InChI=1S/C22H19ClN4O/c23-14-20(28)25-18-11-9-17(10-12-18)21-22(24-15-16-6-2-1-3-7-16)27-13-5-4-8-19(27)26-21/h1-13,24H,14-15H2,(H,25,28)

InChIKey:

BYELKRKGODWMMQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	ClCC(=O)Nc1ccc(cc1)c2nc3ccccn3c2NCc4ccccc4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CNc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl

Name:

2-chloranyl-~{N}-[4-[3-[(phenylmethyl)amino]imidazo[1,2-a]pyridin-2-yl]phenyl]ethanamide

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).