BioLiP

PDB

BioLiP

PDB CCD ID:

A1I0R

Number of entries in BioLiP:

Chemical formula:

C22 H24 Cl2 N4 O

InChI:

InChI=1S/C22H24Cl2N4O/c1-14-5-4-6-17(24)20(14)27-22-21(26-18-7-2-3-12-28(18)22)15-8-10-16(11-9-15)25-19(29)13-23/h2-7,12,15-16,27H,8-11,13H2,1H3,(H,25,29)/t15-,16-

InChIKey:

GNOJQZDTNRWHJM-WKILWMFISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1Nc2c(nc3n2cccc3)C4CCC(CC4)NC(=O)CCl)Cl
CACTVS 3.385	Cc1cccc(Cl)c1Nc2n3ccccc3nc2[CH]4CC[CH](CC4)NC(=O)CCl
CACTVS 3.385	Cc1cccc(Cl)c1Nc2n3ccccc3nc2[C@@H]4CC[C@H](CC4)NC(=O)CCl

Name:

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