Brief Information of the Compound and Protein
Compound Name
(2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3,3-diphenylpropanamide
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PubChem ID
CID: 137648443
Canonical SMILES
NC(=N)NCCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCc1ccccc1)C(c1ccccc1)c1ccccc1)C(=O)c1nc2ccccc2s1
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Compound Formula C46H47N7O5S
Compound Structure
Protein Name
Transmembrane protease serine 6
Protein Classification
Enzyme
>
Protease
>
Serine protease
Uniprot ID
Q8IU80
Gene Name
TMPRSS6
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 340 nM
   TI
   LI
   LO
   TS