Reaction Details Report a problem with these data
Target
Prostasin
Ligand
BDBM50247004
Substrate
n/a
Meas. Tech.
ChEMBL_557785 (CHEMBL953294)
Ki
29±n/a nM
Citation
Tully, DC; Vidal, A; Chatterjee, AK; Williams, JA; Roberts, MJ; Petrassi, HM; Spraggon, G; Bursulaya, B; Pacoma, R; Shipway, A; Schumacher, AM; Danahay, H; Harris, JL Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg Med Chem Lett 18:5895-9 (2008) [PubMed] Article
More Info.:
Target
Name:
Prostasin
Synonyms:
PRSS8 | PRSS8_HUMAN
Type:
PROTEIN
Mol. Mass.:
36426.48
Organism:
Homo sapiens (Human)
Description:
ChEMBL_557785
Residue:
343
Sequence:
MAQKGVLGPGQLGAVAILLYLGLLRSGTGAEGAEAPCGVAPQARITGGSSAVAGQWPWQVSITYEGVHVCGGSLVSEQWVLSAAHCFPSEHHKEAYEVKLGAHQLDSYSEDAKVSTLKDIIPHPSYLQEGSQGDIALLQLSRPITFSRYIRPICLPAANASFPNGLHCTVTGWGHVAPSVSLLTPKPLQQLEVPLISRETCNCLYNIDAKPEEPHFVQEDMVCAGYVEGGKDACQGDSGGPLSCPVEGLWYLTGIVSWGDACGARNRPGVYTLASSYASWIQSKVTELQPRVVPQTQESQPDSNLCGSHLAFSSAPAQGLLRPILFLPLGLALGLLSPWLSEH
Inhibitor
Name:
BDBM50247004
Synonyms:
(3R,5S)-5-(((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-yl)carbamoyl)-1-((R)-2-(benzyloxycarbonyl)-4-phenylbutanoyl)pyrrolidin-3-yl piperidine-1-carboxylate | CHEMBL476038
Type:
Small organic molecule
Emp. Form.:
C42H50N6O8
Mol. Mass.:
766.8818
SMILES:
NCCCC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CCc1ccccc1)NC(=O)OCc1ccccc1)OC(=O)N1CCCCC1)C(=O)c1nc2ccccc2o1 |r|