BioLiP

PDB

BioLiP

PDB CCD ID:

A1I0T

Number of entries in BioLiP:

Chemical formula:

C24 H22 Cl F N4 O

InChI:

InChI=1S/C24H22ClFN4O/c1-14-7-10-20-28-23(18-9-8-17(11-19(18)26)27-21(31)12-25)24(30(20)13-14)29-22-15(2)5-4-6-16(22)3/h4-11,13,29H,12H2,1-3H3,(H,27,31)

InChIKey:

JXWQHUKJDVPKAG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc2nc(c(Nc3c(C)cccc3C)n2c1)c4ccc(NC(=O)CCl)cc4F
OpenEye OEToolkits 2.0.7	Cc1ccc2nc(c(n2c1)Nc3c(cccc3C)C)c4ccc(cc4F)NC(=O)CCl

Name:

2-chloranyl-~{N}-[4-[3-[(2,6-dimethylphenyl)amino]-6-methyl-imidazo[1,2-a]pyridin-2-yl]-3-fluoranyl-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).