BioLiP

PDB

BioLiP

PDB CCD ID:

A1I0U

Number of entries in BioLiP:

Chemical formula:

C23 H19 Cl2 F N4 O

InChI:

InChI=1S/C23H19Cl2FN4O/c1-13-4-3-5-14(2)21(13)29-23-22(28-19-9-6-15(25)12-30(19)23)17-8-7-16(10-18(17)26)27-20(31)11-24/h3-10,12,29H,11H2,1-2H3,(H,27,31)

InChIKey:

MAGAZRXIBIDHLQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cccc(C)c1Nc2n3cc(Cl)ccc3nc2c4ccc(NC(=O)CCl)cc4F
OpenEye OEToolkits 2.0.7	Cc1cccc(c1Nc2c(nc3n2cc(cc3)Cl)c4ccc(cc4F)NC(=O)CCl)C

Name:

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