Reaction Details Report a problem with these data
Target
Serine protease hepsin
Ligand
BDBM50135275
Substrate
n/a
Meas. Tech.
ChEMBL_1544367 (CHEMBL3748443)
Ki
2.9±n/a nM
Citation
 Kwon, H; Kim, Y; Park, K; Choi, SA; Son, SH; Byun, Y Structure-based design, synthesis, and biological evaluation of Leu-Arg dipeptide analogs as novel hepsin inhibitors. Bioorg Med Chem Lett 26:310-4 (2016) [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:
BDBM50135275
Synonyms:
CHEMBL3746517
Type:
Small organic molecule
Emp. Form.:
C21H30N6O3S
Mol. Mass.:
446.566
SMILES:
CC(C)C[C@H](NC(C)=O)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1 |r|
Structure:
Search PDB for entries with ligand similarity: