BioLiP

PDB

BioLiP

PDB CCD ID:

7JR

Number of entries in BioLiP:

Chemical formula:

C12 H11 N O2

InChI:

InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3

InChIKey:

NDVZUSAEFIBAFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1C=C(C=C(C1=O)O)c2ccccc2
CACTVS 3.385	CN1C=C(C=C(O)C1=O)c2ccccc2

Name:

1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one;
3-hydroxy-1-methyl-5-phenylpyridin-2-one

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).