Brief Information of the Compound and Protein
Compound Name
(5R,8S,11S,17S,20S,23S,26S,29S,32R)-32-[(2-aminoacetyl)amino]-23-(3-amino-3-oxopropyl)-17-(carboxymethyl)-26-[3-(diaminomethylideneamino)propyl]-29-[(1R)-1-hydroxyethyl]-8-(hydroxymethyl)-20-(1H-indol-3-ylmethyl)-7,10,16,19,22,25,28,31-octaoxo-3,34-dithia-6,9,15,18,21,24,27,30,40-nonazatricyclo[34.3.1.011,15]tetraconta-1(39),36(40),37-triene-5-carboxylic acid
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PubChem ID
CID: 168290481
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](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)NC1=O
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Compound Formula C53H74N16O16S2
Compound Structure
Protein Name
Kallikrein-5
Protein Classification
Enzyme
>
Protease
>
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 = 1.4 nM
   TI
   LI
   LO
   TS