SEQ2FUN

BioLiP

PDB CCD ID: 4FP
Number of entries in BioLiP: 1
Chemical formula: C12 H16 F N
InChI: InChI=1S/C12H16FN/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-4,11,14H,5-9H2
InChIKey: JLAKCHGEEBPDQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CC2CCNCC2)F
CACTVS 3.341Fc1ccc(CC2CCNCC2)cc1
ACDLabs 10.04Fc1ccc(cc1)CC2CCNCC2
Name:4-(4-FLUOROBENZYL)PIPERIDINE
ChEMBL: CHEMBL144527
DrugBank: DB07110
ZINC: ZINC000002512916
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).