SEQ2FUN

BioLiP

PDB CCD ID: A1CDP
Number of entries in BioLiP: 1
Chemical formula: C11 H15 F N2
InChI: InChI=1S/C11H15FN2/c12-10-3-1-2-4-11(10)14-9-5-7-13-8-6-9/h1-4,9,13-14H,5-8H2
InChIKey: QPTMDHYTCLTFRI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Fc1ccccc1NC1CCNCC1
OpenEye OEToolkits 3.1.0.0c1ccc(c(c1)NC2CCNCC2)F
CACTVS 3.385Fc1ccccc1NC2CCNCC2
Name:N-(2-fluorophenyl)piperidin-4-amine
ChEMBL: CHEMBL3551898
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).