BioLiP

PDB

BioLiP

PDB CCD ID:

IKZ

Number of entries in BioLiP:

Chemical formula:

C24 H20 N8 O2

InChI:

InChI=1S/C24H20N8O2/c1-31-21(18(14-27-31)22(33)26-13-17-9-5-6-11-25-17)23(34)29-20-10-12-32-15-19(28-24(32)30-20)16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,26,33)(H,28,29,30,34)

InChIKey:

RWQPESJHMNDXMR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(c(cn1)C(=O)NCc2ccccn2)C(=O)Nc3ccn4cc(nc4n3)c5ccccc5
CACTVS 3.385	Cn1ncc(C(=O)NCc2ccccn2)c1C(=O)Nc3ccn4cc(nc4n3)c5ccccc5
ACDLabs 12.01	O=C(NCc1ccccn1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1

Name:

1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-N~4~-[(pyridin-2-yl)methyl]-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).