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Target
Serine protease hepsin
Ligand
BDBM50272185
Substrate
n/a
Meas. Tech.
ChEMBL_1712216 (CHEMBL4122265)
IC50
22±n/a nM
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 Chem 61:4335-4347 (2018) [PubMed]  Article 
Target
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:
MAQKEGGRTVPCCSRPKVAALTAGTLLLLTAIGAASWAIVAVLLRSDQEPLYPVQVSSADARLMVFDKTEGTWRLLCSSRSNARVAGLSCEEMGFLRALTHSELDVRTAGANGTSGFFCVDEGRLPHTQRLLEVISVCDCPRGRFLAAICQDCGRRKLPVDRIVGGRDTSLGRWPWQVSLRYDGAHLCGGSLLSGDWVLTAAHCFPERNRVLSRWRVFAGAVAQASPHGLQLGVQAVVYHGGYLPFRDPNSEENSNDIALVHLSSPLPLTEYIQPVCLPAAGQALVDGKICTVTGWGNTQYYGQQAGVLQEARVPIISNDVCNGADFYGNQIKPKMFCAGYPEGGIDACQGDSGGPFVCEDSISRTPRWRLCGIVSWGTGCALAQKPGVYTKVSDFREWIFQAIKTHSEASGMVTQL
  
Inhibitor
Name:
BDBM50272185
Synonyms:
CHEMBL4129836
Type:
Small organic molecule
Emp. Form.:
C22H22N4O3S
Mol. Mass.:
422.5
SMILES:
Cc1ccc(cc1)S(=O)(=O)N[C@@H](C(=O)Nc1ccc(cc1)C(N)=N)c1ccccc1 |r|
Structure:
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