BioLiP

PDB

BioLiP

PDB CCD ID:

BV9

Number of entries in BioLiP:

Chemical formula:

C16 H14 N4 O

InChI:

InChI=1S/C16H14N4O/c1-20-10-15(9-19-20)14-6-13(7-18-8-14)11-2-4-12(5-3-11)16(17)21/h2-10H,1H3,(H2,17,21)

InChIKey:

MUFGPGISRVJPDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N
CACTVS 3.385	Cn1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O

Name:

4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide

ChEMBL:

CHEMBL4457368

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).