BioLiP

PDB

BioLiP

PDB CCD ID:

405

Number of entries in BioLiP:

Chemical formula:

C16 H16 F3 N O

InChI:

InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m0/s1

InChIKey:

WIQRCHMSJFFONW-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C(CCN)Oc2ccc(cc2)C(F)(F)F
CACTVS 3.385	NCC[C@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2
ACDLabs 12.01	FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
OpenEye OEToolkits 1.9.2	c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F
CACTVS 3.385	NCC[CH](Oc1ccc(cc1)C(F)(F)F)c2ccccc2

Name:

(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;
(S)-Norfluoxetine

ChEMBL:

CHEMBL465123

DrugBank:

DB06731

ZINC:

ZINC000000004531

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).