Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50201259
Substrate
n/a
Meas. Tech.
ChEMBL_1623048 (CHEMBL3865400)
Ki
0.490000±n/a nM
Citation
 Latorre, A; Schirmeister, T; Kesselring, J; Jung, S; Johé, P; Hellmich, UA; Heilos, A; Engels, B; Krauth-Siegel, RL; Dirdjaja, N; Bou-Iserte, L; Rodríguez, S; González, FV Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain. ACS Med Chem Lett 7:1073-1076 (2016) [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:
BDBM50201259
Synonyms:
CHEMBL3907022
Type:
Small organic molecule
Emp. Form.:
C21H23N3O5
Mol. Mass.:
397.4244
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)\C=C\[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity: