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Target
Cysteine protease
Ligand
BDBM50268500
Substrate
n/a
Meas. Tech.
ChEMBL_591545 (CHEMBL1062951)
IC50
800±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:
BDBM50268500
Synonyms:
1-butyl-4-(2-(4'-ethylbiphenyl-3-yl)ethyl)-6-ethynyl-1H-indene | 9-(3-hydroxypropyl)-6-((4'-methoxybiphenyl-3-yl)methylamino)-9H-purine-2-carbonitrile | CHEMBL524075
Type:
Small organic molecule
Emp. Form.:
C23H22N6O2
Mol. Mass.:
414.4598
SMILES:
COc1ccc(cc1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Structure:
Search PDB for entries with ligand similarity: