SEQ2FUN

BioLiP

PDB CCD ID: 2LD
Number of entries in BioLiP: 4
Chemical formula: C13 H13 N O2
InChI: InChI=1S/C13H13NO2/c15-12-8-11(9-14-13(12)16)7-6-10-4-2-1-3-5-10/h1-5,8-9,15H,6-7H2,(H,14,16)
InChIKey: XUXZMSAUXVFNPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC2=CNC(=O)C(=C2)O
CACTVS 3.370OC1=CC(=CNC1=O)CCc2ccccc2
ACDLabs 12.01O=C1C(O)=CC(=CN1)CCc2ccccc2
Name:3-hydroxy-5-(2-phenylethyl)pyridin-2(1H)-one
ChEMBL: CHEMBL2338785
ZINC: ZINC000095585968
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).