Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50592133
Substrate
n/a
Meas. Tech.
ChEMBL_2203191 (CHEMBL5115899)
Ki
10.0±n/a nM
Citation
 Jung, S; Fuchs, N; Grathwol, C; Hellmich, UA; Wagner, A; Diehl, E; Willmes, T; Sotriffer, C; Schirmeister, T New peptidomimetic rhodesain inhibitors with improved selectivity towards human cathepsins. Eur J Med Chem 238:0 (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:
BDBM50592133
Synonyms:
CHEMBL5208143
Type:
Small organic molecule
Emp. Form.:
C34H32N2O7S
Mol. Mass.:
612.692
SMILES:
O=C(NCc1ccccc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)Oc1ccccc1)c1ccc2OCCOc2c1 |r|
Structure:
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