SEQ2FUN

BioLiP

PDB CCD ID: RAY
Number of entries in BioLiP: 5
Chemical formula: C11 H14 F N O3
InChI: InChI=1S/C11H14FNO3/c1-15-5-6-16-8-11(14)13-10-4-2-3-9(12)7-10/h2-4,7H,5-6,8H2,1H3,(H,13,14)
InChIKey: DGGIZNHJWLTAAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COCCOCC(=O)Nc1cccc(F)c1
OpenEye OEToolkits 2.0.6COCCOCC(=O)Nc1cccc(c1)F
ACDLabs 12.01C(COCCOC)(Nc1cccc(c1)F)=O
Name:N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
ZINC: ZINC000040479819
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).