Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-1-[(3R,11R,14S,17S,20S,23S)-3-[[(3S,6S,9S,12S,15S,18R,26R,29S,32S,35S)-18-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-9-(3-amino-3-oxo-propyl)-3-(carboxymethyl)-12-(3-guanidinopropyl)-15,32-bis(hydroxymethyl)-6-(1H-indol-3-ylmethyl)-29-isobutyl-2,5,8,11,14,17,22,28,31,34-decaoxo-20,24-dithia-1,4,7,10,13,16,27,30,33-nonazabicyclo[33.3.0]octatriacontane-26-carbonyl]amino]-20-(3-amino-3-oxo-propyl)-17-(3-guanidinopropyl)-14-[(1R)-1-hydroxyethyl]-2,7,13,16,19,22-hexaoxo-5,9-dithia-1,12,15,18,21-pentazabicyclo[21.3.0]hexacosane-11-carbonyl]pyrrolidine-2-carboxylic acid
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 PubChem ID
CID: 168285160
Canonical SMILES
CSCC[C@H](N)C(=O)N[C@H]1CSCC(=O)CSC[C@@H](C(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N3CCC[C@H]3C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3CCCN3C2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC1=O
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Compound Formula C91H139N27O28S5
Compound Structure
Protein Name
 Protein Info 
Kallikrein-5
Protein Classification
Enzyme
>
Protease
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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 = 24 nM
   TI
   LI
   LO
   TS