Reaction Details Report a problem with these data
Target
Serine protease hepsin
Ligand
BDBM525152
Substrate
n/a
Meas. Tech.
TMPRSS2 pericellular activity screening assay
Ki
0.57±0.23 nM
Citation
 Shapira, T; Monreal, IA; Dion, SP; Buchholz, DW; Imbiakha, B; Olmstead, AD; Jager, M; Désilets, A; Gao, G; Martins, M; Vandal, T; Thompson, CAH; Chin, A; Rees, WD; Steiner, T; Nabi, IR; Marsault, E; Sahler, J; Diel, DG; Van de Walle, GR; August, A; Whittaker, GR; Boudreault, PL; Leduc, R; Aguilar, HC; Jean, F A TMPRSS2 inhibitor acts as a pan-SARS-CoV-2 prophylactic and therapeutic. Nature 0:0 (2022) [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:
BDBM525152
Synonyms:
Ms-QFR-kbt | N-0385 | US10988505, Example 2
Type:
Small organic molecule
Emp. Form.:
C28H36N8O6S2
Mol. Mass.:
644.765
SMILES:
CS(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Structure:
Search PDB for entries with ligand similarity: