Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50594420
Substrate
n/a
Meas. Tech.
ChEMBL_2212689 (CHEMBL5125638)
Ki
0.420000±n/a nM
Citation
 Previti, S; Ettari, R; Calcaterra, E; Di Chio, C; Ravichandran, R; Zimmer, C; Hammerschmidt, S; Wagner, A; Bogacz, M; Cosconati, S; Schirmeister, T; Zappalą, M Development of Urea-Bond-Containing Michael Acceptors as Antitrypanosomal Agents Targeting Rhodesain. ACS Med Chem Lett 13:1083-1090 (2022) [PubMed] 
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:
BDBM50594420
Synonyms:
CHEMBL5200091
Type:
Small organic molecule
Emp. Form.:
C27H35N3O3
Mol. Mass.:
449.5851
SMILES:
CC(C)C[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\C(C)=O |r|
Structure:
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