BioLiP

PDB

BioLiP

PDB CCD ID:

SFX

Number of entries in BioLiP:

Chemical formula:

C17 H18 F3 N O

InChI:

InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m0/s1

InChIKey:

RTHCYVBBDHJXIQ-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CNCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
OpenEye OEToolkits 1.5.0	CNCCC(c1ccccc1)Oc2ccc(cc2)C(F)(F)F
OpenEye OEToolkits 1.5.0	CNCC[C@@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F
CACTVS 3.341	CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
ACDLabs 10.04	FC(F)(F)c2ccc(OC(c1ccccc1)CCNC)cc2

Name:

(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
Fluoxetine

ChEMBL:

CHEMBL1169388

DrugBank:

DB08544

ZINC:

ZINC000001530637

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).