BioLiP

PDB

BioLiP

PDB CCD ID:

IZK

Number of entries in BioLiP:

Chemical formula:

C20 H19 Cl N6 O

InChI:

InChI=1S/C20H19ClN6O/c1-13(2)11-27-18(15(21)10-22-27)19(28)24-17-8-9-26-12-16(23-20(26)25-17)14-6-4-3-5-7-14/h3-10,12-13H,11H2,1-2H3,(H,23,24,25,28)

InChIKey:

BGBFQUKCLJIYGD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)Cn1ncc(Cl)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
OpenEye OEToolkits 2.0.7	CC(C)Cn1c(c(cn1)Cl)C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
ACDLabs 12.01	Clc1cnn(CC(C)C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1

Name:

4-chloro-1-(2-methylpropyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide

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).