BioLiP

PDB

BioLiP

PDB CCD ID:

YKU

Number of entries in BioLiP:

Chemical formula:

C23 H16 N4 O

InChI:

InChI=1S/C23H16N4O/c24-16-17-8-7-11-19(14-17)23(28)25-22-15-21(18-9-3-1-4-10-18)26-27(22)20-12-5-2-6-13-20/h1-15H,(H,25,28)

InChIKey:

BKUIZWILNWHFHD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N#Cc1cccc(c1)C(=O)Nc1cc(nn1c1ccccc1)c1ccccc1
CACTVS 3.385	O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4cccc(c4)C#N
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4cccc(c4)C#N

Name:

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide

ChEMBL:

CHEMBL190270

ZINC:

ZINC000003986698

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).