Reaction Details Report a problem with these data
Target
Prostasin
Ligand
BDBM50246986
Substrate
n/a
Meas. Tech.
ChEMBL_557785 (CHEMBL953294)
Ki
5720±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:
BDBM50246986
Synonyms:
CHEMBL507205 | benzyl (S)-1-((S)-1-((S)-6-amino-1-(benzo[d]oxazol-2-yl)-1-oxohexan-2-ylamino)-4-methyl-1-oxopentan-2-ylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-ylcarbamate
Type:
Small organic molecule
Emp. Form.:
C33H41N7O6
Mol. Mass.:
631.7219
SMILES:
CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1 |r|