BioLiP

PDB

BioLiP

PDB CCD ID:

A1I02

Number of entries in BioLiP:

Chemical formula:

C23 H21 Cl N4 O2

InChI:

InChI=1S/C23H21ClN4O2/c1-14-11-18(29)12-15(2)21(14)27-23-22(26-19-5-3-4-10-28(19)23)16-6-8-17(9-7-16)25-20(30)13-24/h3-12,27,29H,13H2,1-2H3,(H,25,30)

InChIKey:

FZKDNMXSWUOVJR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(O)cc(C)c1Nc2n3ccccc3nc2c4ccc(NC(=O)CCl)cc4
OpenEye OEToolkits 2.0.7	Cc1cc(cc(c1Nc2c(nc3n2cccc3)c4ccc(cc4)NC(=O)CCl)C)O

Name:

2-chloranyl-~{N}-[4-[3-[(2,6-dimethyl-4-oxidanyl-phenyl)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).