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Target
Serine protease hepsin
Ligand
BDBM50069121
Substrate
n/a
Meas. Tech.
ChEMBL_1466699 (CHEMBL3404297)
Ki
553±n/a nM
Citation
 Franco, FM; Jones, DE; Harris, PK; Han, Z; Wildman, SA; Jarvis, CM; Janetka, JW Structure-based discovery of small molecule hepsin and HGFA protease inhibitors: Evaluation of potency and selectivity derived from distinct binding pockets. Bioorg Med Chem 23:2328-43 (2015) [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:
BDBM50069121
Synonyms:
CHEMBL3403521
Type:
Small organic molecule
Emp. Form.:
C24H26N6O4S
Mol. Mass.:
494.566
SMILES:
CCc1cc(cc2c(C)coc12)C(Nc1ccc(cc1)C(N)=N)C(=O)NS(=O)(=O)c1cn(C)cn1
Structure:
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