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Target
Cysteine protease
Ligand
BDBM50568075
Substrate
n/a
Meas. Tech.
ChEMBL_2104405 (CHEMBL4812908)
IC50
29000±n/a nM
Citation
 Silva, LR; Guimarães, AS; do Nascimento, J; do Santos Nascimento, IJ; da Silva, EB; McKerrow, JH; Cardoso, SH; da Silva-Júnior, EF Computer-aided design of 1,4-naphthoquinone-based inhibitors targeting cruzain and rhodesain cysteine proteases. Bioorg Med Chem 41:0 (2021) [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:
BDBM50568075
Synonyms:
CHEMBL4845877
Type:
Small organic molecule
Emp. Form.:
C21H19N3O3
Mol. Mass.:
361.3939
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1=[#6](-[#8])-c2ccccc2\[#6](=[#7]\[#7]-[#6](=O)-c2ccncc2)-[#6]-1=O |c:5|
Structure:
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