SEQ2FUN

BioLiP

PDB CCD ID: A1EE6
Number of entries in BioLiP: 4
Chemical formula: C11 H14 F N O2
InChI: InChI=1S/C11H14FNO2/c12-10-5-3-9(4-6-10)8-13-11(15)2-1-7-14/h3-6,14H,1-2,7-8H2,(H,13,15)
InChIKey: SBSPYHWRGOXXLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1CNC(=O)CCCO)F
CACTVS 3.385OCCCC(=O)NCc1ccc(F)cc1
Name:N-[(4-fluorophenyl)methyl]-4-oxidanyl-butanamide;
Maybridge3_001920
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).