SEQ2FUN

BioLiP

PDB CCD ID: FN1
Number of entries in BioLiP: 14
Chemical formula: C10 H13 F N2
InChI: InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1
InChIKey: WEACEDDYURLEPK-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CCC[C@H]1c2cncc(F)c2
CACTVS 3.385CN1CCC[CH]1c2cncc(F)c2
ACDLabs 12.01Fc1cncc(c1)C2CCCN2C
OpenEye OEToolkits 1.9.2CN1CCCC1c2cc(cnc2)F
OpenEye OEToolkits 1.9.2CN1CCC[C@H]1c2cc(cnc2)F
Name:5-fluoronicotine;
3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
ZINC: ZINC000003633880
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).