Reaction Details |
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Target | Prostasin |
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Ligand | BDBM50247003 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_557785 (CHEMBL953294) |
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Ki | 176±n/a nM |
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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 Lett18:5895-9 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Prostasin |
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Name: | Prostasin |
Synonyms: | PRSS8 | PRSS8_HUMAN |
Type: | PROTEIN |
Mol. Mass.: | 36426.48 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_557785 |
Residue: | 343 |
Sequence: | MAQKGVLGPGQLGAVAILLYLGLLRSGTGAEGAEAPCGVAPQARITGGSSAVAGQWPWQV
SITYEGVHVCGGSLVSEQWVLSAAHCFPSEHHKEAYEVKLGAHQLDSYSEDAKVSTLKDI
IPHPSYLQEGSQGDIALLQLSRPITFSRYIRPICLPAANASFPNGLHCTVTGWGHVAPSV
SLLTPKPLQQLEVPLISRETCNCLYNIDAKPEEPHFVQEDMVCAGYVEGGKDACQGDSGG
PLSCPVEGLWYLTGIVSWGDACGARNRPGVYTLASSYASWIQSKVTELQPRVVPQTQESQ
PDSNLCGSHLAFSSAPAQGLLRPILFLPLGLALGLLSPWLSEH
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BDBM50247003 |
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n/a |
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Name | BDBM50247003 |
Synonyms: | CHEMBL501945 | {(R)-1-[(2S,4R)-2-[(S)-5-Amino-1-(benzooxazole-2-carbonyl)-pentylcarbamoyl]-4-(4-methanesulfonyl-benzylcarbamoyloxy)-pyrrolidine-1-carbonyl]-3-phenyl-propyl}-carbamic acid benzyl ester |
Type | Small organic molecule |
Emp. Form. | C45H50N6O10S |
Mol. Mass. | 866.978 |
SMILES | CS(=O)(=O)c1ccc(CNC(=O)O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)c2nc3ccccc3o2)cc1 |r| |
Structure |
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