SEQ2FUN

BioLiP

PDB CCD ID: NVY
Number of entries in BioLiP: 5
Chemical formula: C13 H19 F N2
InChI: InChI=1S/C13H19FN2/c1-2-16-9-7-11(8-10-16)15-13-6-4-3-5-12(13)14/h3-6,11,15H,2,7-10H2,1H3
InChIKey: JXDKAPWBGLJUDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N1(CCC(CC1)Nc2ccccc2F)CC
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCN1CCC(CC1)Nc2ccccc2F
Name:1-ethyl-N-(2-fluorophenyl)piperidin-4-amine
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).