BioLiP

PDB

BioLiP

PDB CCD ID:

JFG

Number of entries in BioLiP:

Chemical formula:

C21 H18 N4 O

InChI:

InChI=1S/C21H18N4O/c1-14-8-9-15(2)22-20(14)21(26)23-17-10-11-18-12-19(24-25(18)13-17)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,26)

InChIKey:

SGINYCKQAHKPGN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(C)c(n1)C(=O)Nc2ccc3cc(nn3c2)c4ccccc4
ACDLabs 12.01	Cc1ccc(C)nc1C(=O)Nc1cn2nc(cc2cc1)c1ccccc1
OpenEye OEToolkits 2.0.7	Cc1ccc(nc1C(=O)Nc2ccc3cc(nn3c2)c4ccccc4)C

Name:

3,6-dimethyl-N-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-6-yl]pyridine-2-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).