BioLiP

PDB

BioLiP

PDB CCD ID:

A1CC3

Number of entries in BioLiP:

Chemical formula:

C19 H22 Cl N5

InChI:

InChI=1S/C19H22ClN5/c1-12-10-13(2)25-18(23-15-6-4-3-5-7-15)17(24-19(25)22-12)14-8-9-21-16(20)11-14/h8-11,15,23H,3-7H2,1-2H3

InChIKey:

HERNWKUOCFEFTO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1cc(C)n2c(NC3CCCCC3)c(nc2n1)c4ccnc(Cl)c4
OpenEye OEToolkits 3.1.0.0	Cc1cc(n2c(c(nc2n1)c3ccnc(c3)Cl)NC4CCCCC4)C
ACDLabs 14.52	Clc1nccc(c1)c1nc2nc(C)cc(C)n2c1NC1CCCCC1

Name:

(2M,4S)-2-(2-chloropyridin-4-yl)-N-cyclohexyl-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine

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).