SEQ2FUN

BioLiP

PDB CCD ID: WLV
Number of entries in BioLiP: 1
Chemical formula: C14 H12 F N O2
InChI: InChI=1S/C14H12FNO2/c15-11-5-4-6-12(9-11)16-14(17)10-18-13-7-2-1-3-8-13/h1-9H,10H2,(H,16,17)
InChIKey: VTCNQCNGFQNSAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)OCC(=O)Nc2cccc(c2)F
CACTVS 3.385Fc1cccc(NC(=O)COc2ccccc2)c1
ACDLabs 12.01C(Oc1ccccc1)C(=O)Nc2cccc(c2)F
Name:N-(3-fluorophenyl)-2-phenoxyacetamide
ZINC: ZINC000000128333
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).