BioLiP

PDB

BioLiP

PDB CCD ID:

QCW

Number of entries in BioLiP:

Chemical formula:

C14 H14 N2 O2

InChI:

InChI=1S/C14H14N2O2/c1-15-13(17)12-8-5-9-16(14(12)18)10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,15,17)

InChIKey:

FPNFBPWMDHIOEK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNC(=O)C1=CC=CN(C1=O)Cc2ccccc2
CACTVS 3.385	CNC(=O)C1=CC=CN(Cc2ccccc2)C1=O

Name:

~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide

ChEMBL:

CHEMBL4633353

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).