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Target
Serine protease hepsin
Ligand
BDBM50130874
Substrate
n/a
Meas. Tech.
ChEMBL_1525565 (CHEMBL3637191)
Ki
100±n/a nM
Citation
 Goswami, R; Wohlfahrt, G; Törmäkangas, O; Moilanen, A; Lakshminarasimhan, A; Nagaraj, J; Arumugam, KN; Mukherjee, S; Chacko, AR; Krishnamurthy, NR; Jaleel, M; Palakurthy, RK; Samiulla, DS; Ramachandra, M Structure-guided discovery of 2-aryl/pyridin-2-yl-1H-indole derivatives as potent and selective hepsin inhibitors. Bioorg Med Chem Lett 25:5309-14 (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:
BDBM50130874
Synonyms:
CHEMBL3632761
Type:
Small organic molecule
Emp. Form.:
C20H22N4O2
Mol. Mass.:
350.4143
SMILES:
NC(=N)c1ccc2[nH]c(cc2c1)-c1cccc([n+]1[O-])C1(O)CCCCC1
Structure:
Search PDB for entries with ligand similarity: