BioLiP

PDB

BioLiP

PDB CCD ID:

EW5

Number of entries in BioLiP:

Chemical formula:

C21 H17 N5 O

InChI:

InChI=1S/C21H17N5O/c27-21(24-14-16-6-10-22-11-7-16)19-15-26(18-4-2-1-3-5-18)25-20(19)17-8-12-23-13-9-17/h1-13,15H,14H2,(H,24,27)

InChIKey:

IOZGCMLGYOLKER-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)n2cc(c(n2)c3ccncc3)C(=O)NCc4ccncc4
CACTVS 3.385	O=C(NCc1ccncc1)c2cn(nc2c3ccncc3)c4ccccc4

Name:

1-phenyl-3-pyridin-4-yl-~{N}-(pyridin-4-ylmethyl)pyrazole-4-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).