BioLiP

PDB

BioLiP

PDB CCD ID:

JIC

Number of entries in BioLiP:

Chemical formula:

C22 H20 N6 O2

InChI:

InChI=1S/C22H20N6O2/c1-27-20(17(12-23-27)21(29)24-15-7-8-15)22(30)25-16-9-10-28-13-18(26-19(28)11-16)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,24,29)(H,25,30)

InChIKey:

LKUIZRWATPLATP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1c(c(cn1)C(=O)NC2CC2)C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
CACTVS 3.385	Cn1ncc(C(=O)NC2CC2)c1C(=O)Nc3ccn4cc(nc4c3)c5ccccc5
ACDLabs 12.01	O=C(NC1CC1)c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1

Name:

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