BioLiP

PDB

BioLiP

PDB CCD ID:

A1BG8

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5 O

InChI:

InChI=1S/C16H15N5O/c1-11-17-7-12(8-18-11)14-5-3-4-6-15(14)16(22)20-13-9-19-21(2)10-13/h3-10H,1-2H3,(H,20,22)

InChIKey:

WYOZJAIIAKMJNP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1ncc(cn1)c2ccccc2C(=O)Nc3cnn(c3)C
CACTVS 3.385	Cn1cc(NC(=O)c2ccccc2c3cnc(C)nc3)cn1
ACDLabs 14.52	O=C(Nc1cn(C)nc1)c1ccccc1c1cnc(C)nc1

Name:

N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide

ChEMBL:

CHEMBL5608079

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).