Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-4-amino-2-[[(5R,11S,14S,17S,20R)-5-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(5R,8S,11S,14S,17S,20R)-20-[(2-aminoacetyl)amino]-11-(3-amino-3-oxopropyl)-14-(3-carbamimidamidopropyl)-17-[(1R)-1-hydroxyethyl]-7,10,13,16,19-pentaoxo-8-propan-2-yl-3,22-dithia-6,9,12,15,18,28-hexazabicyclo[22.3.1]octacosa-1(27),24(28),25-triene-5-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-14-(hydroxymethyl)-17-methyl-6,12,15,18-tetraoxo-3,22-dithia-7,13,16,19,28-pentazatricyclo[22.3.1.07,11]octacosa-1(28),24,26-triene-20-carbonyl]amino]-4-oxobutanoic acid
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 PubChem ID
CID: 168285748
Canonical SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSCc2cccc(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](C(C)C)C(=O)N1)n2)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H]1CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](CC(N)=O)C(O)=O)n2
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Compound Formula C85H129N27O26S4
Compound Structure
Protein Name
 Protein Info 
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
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
Ki = 7 nM
   TI
   LI
   LO
   TS