Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50314126
Substrate
n/a
Meas. Tech.
ChEMBL_623874 (CHEMBL1105397)
Ki
150±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:
BDBM50314126
Synonyms:
(S)-Benzyl-2-[(Z)-3-((S)-1-benzyloxycarbonyl-2-phenylethylcarbamoyl)acryloylamino]-3-phenylpropionate | CHEMBL1090038
Type:
Small organic molecule
Emp. Form.:
C29H28N2O6
Mol. Mass.:
500.5424
SMILES:
OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Structure:
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