BioLiP

PDB

BioLiP

PDB CCD ID:

JNF

Number of entries in BioLiP:

Chemical formula:

C18 H21 N5

InChI:

InChI=1S/C18H21N5/c1-22(14-7-3-2-4-8-14)18-19-11-10-15(21-18)16-13-20-17-9-5-6-12-23(16)17/h5-6,9-14H,2-4,7-8H2,1H3

InChIKey:

HYNNWLVWJXWXFO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CN(C1CCCCC1)c2nccc(n2)c3cnc4ccccn34
ACDLabs 10.04	n1ccc(nc1N(C2CCCCC2)C)c3cnc4ccccn34
OpenEye OEToolkits 1.5.0	CN(c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4
OpenEye OEToolkits 1.5.0	C[N@@](c1nccc(n1)c2cnc3n2cccc3)C4CCCCC4

Name:

N-cyclohexyl-4-imidazo[1,2-a]pyridin-3-yl-N-methylpyrimidin-2-amine

ChEMBL:

CHEMBL482708

DrugBank:

DB08023

ZINC:

ZINC000039079624

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).