SEQ2FUN

BioLiP

PDB CCD ID: JKX
Number of entries in BioLiP: 3
Chemical formula: C10 H11 F N2 O
InChI: InChI=1S/C10H11FN2O/c11-9-2-1-3-10(12-9)13-6-4-8(14)5-7-13/h1-3H,4-7H2
InChIKey: VDABBWFIBCXQRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(nc(c1)F)N2CCC(=O)CC2
ACDLabs 12.01Fc1nc(ccc1)N1CCC(=O)CC1
CACTVS 3.385Fc1cccc(n1)N2CCC(=O)CC2
Name:1-(6-fluoropyridin-2-yl)piperidin-4-one
ZINC: ZINC000020246930

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).