SEQ2FUN

BioLiP

PDB CCD ID: A1ANG
Number of entries in BioLiP: 2
Chemical formula: C12 H16 F N
InChI: InChI=1S/C12H16FN/c13-12-5-3-10(4-6-12)8-11-2-1-7-14-9-11/h3-6,11,14H,1-2,7-9H2/t11-/m1/s1
InChIKey: WATWKPHWUDHKGA-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(C[C@@H]2CCCNC2)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1C[C@@H]2CCCNC2)F
OpenEye OEToolkits 2.0.7c1cc(ccc1CC2CCCNC2)F
CACTVS 3.385Fc1ccc(C[CH]2CCCNC2)cc1
ACDLabs 12.01Fc1ccc(cc1)CC1CCCNC1
Name:(3R)-3-[(4-fluorophenyl)methyl]piperidine
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).