BioLiP

PDB

BioLiP

PDB CCD ID:

JNO

Number of entries in BioLiP:

Chemical formula:

C19 H23 N7 O

InChI:

InChI=1S/C19H23N7O/c1-20-18(27)13-25-10-6-14(7-11-25)23-19-21-8-5-15(24-19)16-12-22-17-4-2-3-9-26(16)17/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,20,27)(H,21,23,24)

InChIKey:

AJLILYAPRHIFAS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4ccccn34
ACDLabs 10.04	O=C(NC)CN4CCC(Nc3nc(c2cnc1ccccn12)ccn3)CC4
OpenEye OEToolkits 1.5.0	CNC(=O)CN1CCC(CC1)Nc2nccc(n2)c3cnc4n3cccc4

Name:

2-{4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]piperidin-1-yl}-N-methylacetamide

ChEMBL:

CHEMBL485323

DrugBank:

DB08026

ZINC:

ZINC000016052751

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).