Brief Information of the Compound and Protein
Compound Name
(2S)-2-[[(3R,11R,14S,17S,20S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-5-amino-2-[[(3S,6S,9R,17R,20S,23S)-9-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-3,20-bis(1H-indol-3-ylmethyl)-6-isobutyl-2,5,8,13,19,22-hexaoxo-11,15-dithia-1,4,7,18,21-pentazabicyclo[21.3.0]hexacosane-17-carbonyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-carboxy-butanoyl]amino]propanoyl]amino]-14-(3-amino-3-oxo-propyl)-17-(hydroxymethyl)-2,7,13,16,19-pentaoxo-5,9-dithia-1,12,15,18-tetrazabicyclo[18.3.0]tricosane-11-carbonyl]amino]pentanedioic acid
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PubChem ID
CID: 168283048
Canonical SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C2=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
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Compound Formula C101H134N22O28S4
Compound Structure
Protein Name
Kallikrein-7
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease PA clan
>
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 > 1000 nM
   TI
   LI
   LO
   TS