Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-methylbutanamide
    Show/Hide
 PubChem ID
CID: 118720348
Canonical SMILES
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1
    Show/Hide
Compound Formula C36H44N8O6S
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Drosophila melanogaster (Fruit fly)  1
1
Ki = 2.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.56 nM