BioLiP

PDB

BioLiP

PDB CCD ID:

IKE

Number of entries in BioLiP:

Chemical formula:

C19 H17 N7 O2

InChI:

InChI=1S/C19H17N7O2/c1-20-17(27)13-10-21-25(2)16(13)18(28)23-15-8-9-26-11-14(22-19(26)24-15)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,27)(H,22,23,24,28)

InChIKey:

FNXARQHKLABKOU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4)C
CACTVS 3.385	CNC(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3n2)c4ccccc4
ACDLabs 12.01	O=C(NC)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1

Name:

N~4~,1-dimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide

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).