BioLiP

PDB

BioLiP

PDB CCD ID:

9WB

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O

InChI:

InChI=1S/C13H13NO/c1-9-8-12(15)13(10(2)14-9)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,14,15)

InChIKey:

OGQGCZKEXJDIHR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1=CC(=O)C(=C(C)N1)c2ccccc2
OpenEye OEToolkits 2.0.6	CC1=CC(=O)C(=C(N1)C)c2ccccc2

Name:

2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one

ZINC:

ZINC000078169886

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).