Reaction Details |
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Target | Serine protease hepsin |
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Ligand | BDBM50424712 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1712213 (CHEMBL4122262) |
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IC50 | 29±n/a nM |
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Citation | Pant, SM; Mukonoweshuro, A; Desai, B; Ramjee, MK; Selway, CN; Tarver, GJ; Wright, AG; Birchall, K; Chapman, TM; Tervonen, TA; Klefström, J Design, Synthesis, and Testing of Potent, Selective Hepsin Inhibitors via Application of an Automated Closed-Loop Optimization Platform. J Med Chem61:4335-4347 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Serine protease hepsin |
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Name: | Serine protease hepsin |
Synonyms: | HEPS_HUMAN | HPN | Hepsin | Serine protease hepsin | TMPRSS1 | Transmembrane protease serine 11E | Transmembrane protease, serine 1 |
Type: | Enzyme |
Mol. Mass.: | 45016.98 |
Organism: | Homo sapiens (Human) |
Description: | Human deglycosylated hepsin was expressed in Pichia pastoris. |
Residue: | 417 |
Sequence: | MAQKEGGRTVPCCSRPKVAALTAGTLLLLTAIGAASWAIVAVLLRSDQEPLYPVQVSSAD
ARLMVFDKTEGTWRLLCSSRSNARVAGLSCEEMGFLRALTHSELDVRTAGANGTSGFFCV
DEGRLPHTQRLLEVISVCDCPRGRFLAAICQDCGRRKLPVDRIVGGRDTSLGRWPWQVSL
RYDGAHLCGGSLLSGDWVLTAAHCFPERNRVLSRWRVFAGAVAQASPHGLQLGVQAVVYH
GGYLPFRDPNSEENSNDIALVHLSSPLPLTEYIQPVCLPAAGQALVDGKICTVTGWGNTQ
YYGQQAGVLQEARVPIISNDVCNGADFYGNQIKPKMFCAGYPEGGIDACQGDSGGPFVCE
DSISRTPRWRLCGIVSWGTGCALAQKPGVYTKVSDFREWIFQAIKTHSEASGMVTQL
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BDBM50424712 |
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n/a |
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Name | BDBM50424712 |
Synonyms: | CAMOSTAT | Camostat Mesilate | Foipan |
Type | Small organic molecule |
Emp. Form. | C20H22N4O5 |
Mol. Mass. | 398.4125 |
SMILES | [#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1 |
Structure |
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