BioLiP

PDB

BioLiP

PDB CCD ID:

NUH

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O2

InChI:

InChI=1S/C13H13NO2/c1-14-9-11(6-7-13(14)15)10-4-3-5-12(8-10)16-2/h3-9H,1-2H3

InChIKey:

WBOQDJCUHPQCRG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C=C(C=CC1=O)c2cccc(c2)OC
CACTVS 3.385	COc1cccc(c1)C2=CN(C)C(=O)C=C2

Name:

5-(3-methoxyphenyl)-1-methyl-pyridin-2-one;
5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one

ChEMBL:

CHEMBL4452292

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).