SEQ2FUN

BioLiP

PDB CCD ID: WMF
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N O3
InChI: InChI=1S/C18H15NO3/c20-15-10-11-19(18(21)12-15)13-14-6-4-5-9-17(14)22-16-7-2-1-3-8-16/h1-12,20H,13H2
InChIKey: WZQILBDOYMFELL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC=1C=CN(Cc2ccccc2Oc2ccccc2)C(=O)C=1
CACTVS 3.385OC1=CC(=O)N(Cc2ccccc2Oc3ccccc3)C=C1
OpenEye OEToolkits 2.0.7c1ccc(cc1)Oc2ccccc2CN3C=CC(=CC3=O)O
Name:4-hydroxy-1-[(2-phenoxyphenyl)methyl]pyridin-2(1H)-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).