Brief Information of the Compound and Protein
Compound Name
N,N-dimethyl-3-[2-[3-(naphthalen-1-ylmethylsulfanyloxy)prop-1-ynyl]-5,6-dihydrobenzo[b][1]benzazepin-11-yl]propan-1-amine
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PubChem ID
CID: 127046947
Canonical SMILES
CN(C)CCCN1c2ccccc2CCc2ccc(cc12)C#CCOSCc1cccc2ccccc12
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Compound Formula C33H34N2OS
Compound Structure
Protein Name
Sodium-dependent serotonin transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
P31645
Gene Name
SLC6A4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000362 GripTite 293 MSR Homo sapiens (Human)  4
1
IC50 = 350 nM
   TI
   LI
   LO
   TS
2
Ki = 475 nM
   TI
   LI
   LO
   TS
3
Ki = 1100 nM
   TI
   LI
   LO
   TS
4
Ki = 4700 nM
   TI
   LI
   LO
   TS