SEQ2FUN

BioLiP

PDB CCD ID: X48
Number of entries in BioLiP: 3
Chemical formula: C11 H9 N O2
InChI: InChI=1S/C11H9NO2/c13-10-7-6-9(12-11(10)14)8-4-2-1-3-5-8/h1-5,7,13H,6H2
InChIKey: OERUTQQJGIUXIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C2=NC(=O)C(=CC2)O
ACDLabs 12.01O=C2N=C(c1ccccc1)CC=C2O
CACTVS 3.385OC1=CCC(=NC1=O)c2ccccc2
Name:3-hydroxy-6-phenylpyridin-2(5H)-one
ZINC: ZINC000095921366
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).