BioLiP

PDB

BioLiP

PDB CCD ID:

FVX

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.7.6	COCCCC/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 3.370	COCCCC\C(=N/OCCN)c1ccc(cc1)C(F)(F)F
ACDLabs 12.01	FC(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, 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).