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BioLiP

PDB CCD ID: FVX
Number of entries in BioLiP: 3
Chemical formula: C15 H21 F3 N2 O2
InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+
InChIKey: CJOFXWAVKWHTFT-XSFVSMFZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F
CACTVS 3.370
OpenEye OEToolkits 1.7.6		COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F
CACTVS 3.370COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1ccc(\C(=N\OCCN)CCCCOC)cc1
Name:Fluvoxamine;
2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
ChEMBL: CHEMBL814
DrugBank: DB00176
ZINC: ZINC000003872605
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).
  • 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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