SEQ2FUN

BioLiP

PDB CCD ID: N4E
Number of entries in BioLiP: 3
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey: CPJSUEIXXCENMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOc1ccc(cc1)NC(=O)C
CACTVS 3.341CCOc1ccc(NC(C)=O)cc1
ACDLabs 10.04O=C(Nc1ccc(OCC)cc1)C
Name:N-(4-ethoxyphenyl)acetamide;
phenacetin
ChEMBL: CHEMBL16073
DrugBank: DB03783
ZINC: ZINC000000000602
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).