Reaction Details Report a problem with these data
Target
Serine protease hepsin
Ligand
BDBM50069107
Substrate
n/a
Meas. Tech.
ChEMBL_1466699 (CHEMBL3404297)
Ki
7000±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:
BDBM50069107
Synonyms:
CHEMBL356792
Type:
Small organic molecule
Emp. Form.:
C30H31N5O3S
Mol. Mass.:
541.664
SMILES:
[H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCN(CC1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: