Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50314125
Substrate
n/a
Meas. Tech.
ChEMBL_623883 (CHEMBL1105406)
Ki
640±n/a nM
Citation
 Breuning, A; Degel, B; Schulz, F; Büchold, C; Stempka, M; Machon, U; Heppner, S; Gelhaus, C; Leippe, M; Leyh, M; Kisker, C; Rath, J; Stich, A; Gut, J; Rosenthal, PJ; Schmuck, C; Schirmeister, T Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids. J Med Chem 53:1951-63 (2010) [PubMed]  Article 
Target
Name:
Cysteine protease
Synonyms:
Rhodesain
Type:
PROTEIN
Mol. Mass.:
48425.78
Organism:
Trypanosoma brucei rhodesiense
Description:
ChEMBL_619861
Residue:
450
Sequence:
MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAFRFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVNVTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVSCDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDHVDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNPPYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDFCEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPLDKCIPILIGSVEYHCSTNPPTKAARLVPHQ
  
Inhibitor
Name:
BDBM50314125
Synonyms:
(S,E)-Ethyl 4-((S)-2-(tert-Butoxycarbonylamino)-2-phenylacetamido)-7-oxo-7-(tritylamino)hept-2-enoate | CHEMBL1090281
Type:
Small organic molecule
Emp. Form.:
C41H45N3O6
Mol. Mass.:
675.8125
SMILES:
CCOC(=O)\C=C\[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r|
Structure:
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