Brief Information of the Compound and Protein
Compound Name
4-[(3S)-1-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide;hydrochloride
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PubChem ID
CID: 155531023
Canonical SMILES
Cl.NC(=N)c1ccc(cc1OCc1cccnc1)[C@@H]1Cc2ccc(cc2B(O)O1)C(F)(F)F
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Compound Formula C22H20BClF3N3O3
Compound Structure
Protein Name
Kallikrein-5
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease PA clan
>
Serine protease S1A subfamily
Uniprot ID
Q9Y337
Gene Name
KLK5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  2
1
IC50 < 0.7943 nM
   TI
   LI
   LO
   TS
2
IC50 = 5.012 nM
   TI
   LI
   LO
   TS