Brief Information of the Compound and Protein
Compound Name
 Compound Info 
N-(2-aminoethyl)-4-[4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]benzenesulfonamide
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 PubChem ID
CID: 135567320
Canonical SMILES
NCCNS(=O)(=O)c1ccc(cc1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1
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Compound Formula C22H24N4O3S2
Compound Structure
Protein Name
 Protein Info 
Collagenase 3
Protein Classification
Enzyme
>
Protease
>
Metallo protease
>
Metallo protease MAM clan
>
Metallo protease M10A subfamily
Uniprot ID
P45452
Gene Name
MMP13
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000265 NS0
 Cell Line Info 
Mus musculus (Mouse)  2
1
IC50 = 3.4 nM
   TI
   LI
   LO
   TS
2
Ki = 13.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3.4 nM
2 IC50 = 8.3 nM