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Target
Cysteine protease
Ligand
BDBM50300773
Substrate
n/a
Meas. Tech.
ChEMBL_591545 (CHEMBL1062951)
IC50
260±n/a nM
Citation
 Mallari, JP; Shelat, AA; Kosinski, A; Caffrey, CR; Connelly, M; Zhu, F; McKerrow, JH; Guy, RK Structure-guided development of selective TbcatB inhibitors. J Med Chem 52:6489-93 (2009) [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:
BDBM50300773
Synonyms:
6-(3-(1H-indol-6-yl)benzylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile | CHEMBL584314
Type:
Small organic molecule
Emp. Form.:
C24H21N7O
Mol. Mass.:
423.4698
SMILES:
OCCCn1cnc2c(NCc3cccc(c3)-c3ccc4cc[nH]c4c3)nc(nc12)C#N
Structure:
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