Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[(aR,1R,3aS,4S,10S,16R,19S,22S,25S,28S,31S,34R,37S,40S,43S,46S,49S,52S,55R,58S,67S,70S,76S,82R,85S,91S,97S)-37,40,49-tris(4-aminobutyl)-91-(2-amino-2-oxoethyl)-52-(3-amino-3-oxopropyl)-3a,46-bis[(2S)-butan-2-yl]-28,31,97-tris(3-carbamimidamidopropyl)-19,67-bis(carboxymethyl)-22,70,76-tris(hydroxymethyl)-85-[(4-hydroxyphenyl)methyl]-4-methyl-43-(2-methylpropyl)-2a,3,5a,6,9,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60,63,66,69,72,75,78,81,84,87,90,93,96,99-tetratriacontaoxo-58-propan-2-yl-7a,8a,11a,12a,15a,16a-hexathia-1a,2,4a,5,8,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95,98-tetratriacontazapentacyclo[53.50.4.416,82.434,100.010,14]heptadecahectan-25-yl]acetic acid
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 PubChem ID
CID: 155510638
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]4CSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N4)NC(=O)[C@@H](NC3=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N2
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Compound Formula C138H224N48O46S6
Compound Structure
Protein Name
 Protein Info 
Kallikrein-4
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
Q9Y5K2
Gene Name
KLK4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9
 Cell Line Info 
Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 0.13 nM
   TI
   LI
   LO
   TS