BioLiP

PDB

BioLiP

PDB CCD ID:

A1I0P

Number of entries in BioLiP:

Chemical formula:

C23 H20 Cl2 N4 O

InChI:

InChI=1S/C23H20Cl2N4O/c1-14-6-11-19-27-22(16-7-9-17(10-8-16)26-20(30)12-24)23(29(19)13-14)28-21-15(2)4-3-5-18(21)25/h3-11,13,28H,12H2,1-2H3,(H,26,30)

InChIKey:

HQEALMJRSFDFSG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc2nc(c(n2c1)Nc3c(cccc3Cl)C)c4ccc(cc4)NC(=O)CCl
CACTVS 3.385	Cc1ccc2nc(c3ccc(NC(=O)CCl)cc3)c(Nc4c(C)cccc4Cl)n2c1

Name:

2-chloranyl-~{N}-[4-[3-[(2-chloranyl-6-methyl-phenyl)amino]-6-methyl-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).