Brief Information of the Compound and Protein
Compound Name
 Compound Info 
Cocaine
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 PubChem ID
CID: 446220
SID: 14849677
Canonical SMILES
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C
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Compound Formula C17H21NO4
Compound Structure
Protein Name
 Protein Info 
Sodium-dependent serotonin transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
P31652
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 304 nM
2 IC50 = 1045 nM
3 IC50 = 1050 nM
4 IC50 = 1059 nM
5 Ki = 45 nM
6 Ki = 95 nM
7 Ki = 96 nM
8 Ki = 112.11 nM
9 Ki = 155 nM
10 Ki = 160 nM
11 Ki = 172 nM