BioLiP

PDB

BioLiP

PDB CCD ID:

JSM

Number of entries in BioLiP:

Chemical formula:

C23 H25 N7 O2

InChI:

InChI=1S/C23H25N7O2/c1-24-10-12-28(2)23(32)18-14-25-29(3)21(18)22(31)26-17-9-11-30-15-19(27-20(30)13-17)16-7-5-4-6-8-16/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,26,31)

InChIKey:

DRIMVSLLPGICRV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNCCN(C)C(=O)c1cnn(c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4)C
ACDLabs 12.01	O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)CCNC
CACTVS 3.385	CNCCN(C)C(=O)c1cnn(C)c1C(=O)Nc2ccn3cc(nc3c2)c4ccccc4

Name:

N~4~,1-dimethyl-N~4~-[2-(methylamino)ethyl]-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).