SEQ2FUN

BioLiP

PDB CCD ID: PO6
Number of entries in BioLiP: 6
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
InChIKey: AOPRXJXHLWYPQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)OCC(=O)N
CACTVS 3.370NC(=O)COc1ccccc1
ACDLabs 12.01O=C(N)COc1ccccc1
Name:2-phenoxyacetamide
ChEMBL: CHEMBL1717544
ZINC: ZINC000000123519
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).