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Target
Cysteine protease
Ligand
BDBM50537998
Substrate
n/a
Meas. Tech.
ChEMBL_1971689 (CHEMBL4604507)
IC50
33000±n/a nM
Citation
 Kossack, R; Breinlinger, S; Nguyen, T; Moschny, J; Straetener, J; Berscheid, A; Brötz-Oesterhelt, H; Enke, H; Schirmeister, T; Niedermeyer, THJ Nostotrebin 6 Related Cyclopentenediones and ?-Lactones with Broad Activity Spectrum Isolated from the Cultivation Medium of the Cyanobacterium  J Nat Prod 83:392-400 (2020) [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:
BDBM50537998
Synonyms:
CHEMBL4632423
Type:
Small organic molecule
Emp. Form.:
C50H38O11
Mol. Mass.:
814.8301
SMILES:
Oc1ccc(CC2=C(Cc3ccc(O)cc3)C(=O)C(C2=O)(c2ccc(O)cc2)c2cc(Cc3c(Cc4ccc(O)cc4)cc(oc3=O)-c3ccc(O)cc3)c(O)cc2O)cc1 |c:6|
Structure:
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