SEQ2FUN

BioLiP

PDB CCD ID: N0E
Number of entries in BioLiP: 3
Chemical formula: C15 H15 N O2
InChI: InChI=1S/C15H15NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-5,7-10,17H,6,11H2,(H,16,18)
InChIKey: OHWHQNCVWRVQFT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCC(=O)Nc2ccc(cc2)O
CACTVS 3.385Oc1ccc(NC(=O)CCc2ccccc2)cc1
Name:~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide
ChEMBL: CHEMBL1801544
ZINC: ZINC000000362862
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).