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BioLiP

PDB CCD ID: S2V
Number of entries in BioLiP: 1
Chemical formula: C13 H16 F N O2
InChI: InChI=1S/C13H16FNO2/c1-15-7-5-12(6-8-15)17-13(16)10-3-2-4-11(14)9-10/h2-4,9,12H,5-8H2,1H3
InChIKey: ZFURYJWOGQNUPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1CCC(CC1)OC(=O)c2cccc(F)c2
OpenEye OEToolkits 2.0.6CN1CCC(CC1)OC(=O)c2cccc(c2)F
Name:(1-methylpiperidin-4-yl) 3-fluoranylbenzoate
ChEMBL: CHEMBL37159
ZINC: ZINC000000110644
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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