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Target
Cysteine protease
Ligand
BDBM50049066
Substrate
n/a
Meas. Tech.
ChEMBL_2104405 (CHEMBL4812908)
IC50
>100000±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:
BDBM50049066
Synonyms:
2-Hydroxynaphthoquinone | CHEBI:44401 | Lawsone | NSC-8625
Type:
Small organic molecule
Emp. Form.:
C10H6O3
Mol. Mass.:
174.1528
SMILES:
OC1=CC(=O)c2ccccc2C1=O |t:1|
Structure:
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