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Target
Cysteine protease
Ligand
BDBM50128351
Substrate
n/a
Meas. Tech.
ChEMBL_1523850 (CHEMBL3632411)
Ki
3350±n/a nM
Citation
 Ettari, R; Pinto, A; Previti, S; Tamborini, L; Angelo, IC; La Pietra, V; Marinelli, L; Novellino, E; Schirmeister, T; Zappalą, M; Grasso, S; De Micheli, C; Conti, P Development of novel dipeptide-like rhodesain inhibitors containing the 3-bromoisoxazoline warhead in a constrained conformation. Bioorg Med Chem 23:7053-60 (2015) [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:
BDBM50128351
Synonyms:
CHEMBL3629185
Type:
Small organic molecule
Emp. Form.:
C19H22BrN3O4
Mol. Mass.:
436.3
SMILES:
[H][C@]12CN(C[C@@]1([H])C(Br)=NO2)C(=O)[C@H](CCc1ccccc1)NC(=O)OCC=C |r,c:9|
Structure:
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