Brief Information of the Compound and Protein
Compound Name
(5R,8S,14S,17S,20S,23S,26S,29R)-29-[(2-aminoacetyl)amino]-20-(3-amino-3-oxopropyl)-14-(carboxymethyl)-23-[3-(diaminomethylideneamino)propyl]-26-[(1R)-1-hydroxyethyl]-17-(1H-indol-3-ylmethyl)-7,13,16,19,22,25,28-heptaoxo-3,31-dithia-6,12,15,18,21,24,27,37-octazatricyclo[31.3.1.08,12]heptatriaconta-1(36),33(37),34-triene-5-carboxylic acid
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PubChem ID
CID: 168285783
Canonical SMILES
C[C@@H](O)[C@@H]1NC(=O)[C@@H](NC(=O)CN)CSCc2cccc(n2)CSC[C@@H](C(=O)O)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)NC1=O
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Compound Formula C50H69N15O14S2
Compound Structure
Protein Name
Kallikrein-5
Protein Classification
Enzyme
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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 Cricetulus griseus (Chinese hamster)  1
1
Ki = 2.7 nM
   TI
   LI
   LO
   TS