Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-[[(5S,8S,11S)-11-[[(2S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(5R,8S,14S,17S,20S,23S,26R)-26-[(2-aminoacetyl)amino]-17-(3-amino-3-oxopropyl)-20-(3-carbamimidamidopropyl)-23-[(1R)-1-hydroxyethyl]-14-(1H-indol-3-ylmethyl)-7,13,16,19,22,25-hexaoxo-3,28-dithia-6,12,15,18,21,24,34-heptazatricyclo[28.3.1.08,12]tetratriaconta-1(33),30(34),31-triene-5-carbonyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-8-[(1R)-1-hydroxyethyl]-7,10-dioxo-3,13-dithia-6,9,19-triazabicyclo[13.3.1]nonadeca-1(18),15(19),16-triene-5-carbonyl]amino]-3-methylbutanoic acid
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 PubChem ID
CID: 168292908
Canonical SMILES
CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(n2)CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CSCc3cccc(n3)CSC[C@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N3CCC[C@H]3C(=O)N2)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O
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Compound Formula C90H129N25O26S4
Compound Structure
Protein Name
 Protein Info 
Kallikrein-5
Protein Classification
Enzyme
>
Protease
>
Serine protease
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Serine protease PA clan
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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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.7 nM
   TI
   LI
   LO
   TS