Brief Information of the Compound and Protein
Compound Name
2-[(5R,11S,14S,17R)-17-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(5R,8S,11S,14S,17S,20R)-11-[(2S)-butan-2-yl]-20-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-14-[(4-hydroxyphenyl)methyl]-8-methyl-17-(2-methylpropyl)-7,10,13,16,19-pentaoxo-3,22-dithia-6,9,12,15,18,28-hexazabicyclo[22.3.1]octacosa-1(27),24(28),25-triene-5-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-11-(2-amino-2-oxoethyl)-5-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]carbamoyl]-7,10,13,16-tetraoxo-3,19-dithia-6,9,12,15,25-pentazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-14-yl]acetic acid
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PubChem ID
CID: 168272199
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CSCc2cccc(CSC[C@H](NC(=O)[C@H](C)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSCc3cccc(CSC[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)n3)n2)NC(=O)[C@@H](N)CCC(N)=O
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Compound Formula C90H133N25O25S4
Compound Structure
Protein Name
Kallikrein-7
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
P49862
Gene Name
KLK7
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 32 nM
   TI
   LI
   LO
   TS