SEQ2FUN

BioLiP

PDB CCD ID: 8NP
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N O2
InChI: InChI=1S/C18H15NO2/c1-13-11-14(12-19-18(13)20)16-9-5-6-10-17(16)21-15-7-3-2-4-8-15/h2-12H,1H3,(H,19,20)
InChIKey: ZQYOXBNCDYICCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cccc(c1)Oc2c(cccc2)C=3C=C(C(NC=3)=O)C
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CC1=CC(=CNC1=O)c2ccccc2Oc3ccccc3
Name:3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one
ChEMBL: CHEMBL4082851
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).