Target
Cysteine protease
Ligand
BDBM50300781
Substrate
n/a
Meas. Tech.
ChEMBL_591545 (CHEMBL1062951)
IC50
1200±n/a nM
Citation
 Mallari, JPShelat, AAKosinski, ACaffrey, CRConnelly, MZhu, FMcKerrow, JHGuy, 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:
BDBM50300781
Synonyms:
6-((3'-chlorobiphenyl-3-yl)methylamino)-9-(3-hydroxypropyl)-9H-purine-2-carbonitrile | CHEMBL566094
Type:
Small organic molecule
Emp. Form.:
C22H19ClN6O
Mol. Mass.:
418.879
SMILES:
OCCCn1cnc2c(NCc3cccc(c3)-c3cccc(Cl)c3)nc(nc12)C#N
Structure:
Search PDB for entries with ligand similarity: