Brief Information of the Compound and Protein
Compound Name
(3S)-3-[[(2S)-2-[[(2S,3S)-2-[[(3R,6S,9S,12S,16S,19S,22S,25R)-9-(3-amino-3-oxo-propyl)-6-benzyl-25-[[(2S)-2,5-diamino-5-oxo-pentanoyl]amino]-16-[(1R)-1-hydroxyethyl]-12-[(4-hydroxyphenyl)methyl]-19,22-bis[(1S)-1-methylpropyl]-5,8,11,14,18,21,24,29-octaoxo-1,27-dithia-4,7,10,13,15,17,20,23-octazacyclotriacontane-3-carbonyl]amino]-3-hydroxy-butanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-[[(1S)-1-[[(1S)-2-[[2-[[(3R,6R)-3-[[(1S)-1-carboxy-2-hydroxy-ethyl]carbamoyl]-5,10-dioxo-1,8-dithia-4-azacycloundec-6-yl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]amino]-4-oxo-butanoic acid
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PubChem ID
CID: 168270915
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)CSCC(=O)CSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H]2CSCC(=O)CSC[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC2=O)[C@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)N[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O
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Compound Formula C96H138N26O30S4
Compound Structure
Protein Name
Kallikrein-7
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
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 = 96 nM
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