Target
Cysteine protease
Ligand
BDBM50268501
Substrate
n/a
Meas. Tech.
ChEMBL_591545 (CHEMBL1062951)
IC50
1500±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:
BDBM50268501
Synonyms:
9-(3-hydroxypropyl)-6-((3'-vinylbiphenyl-3-yl)methylamino)-9H-purine-2-carbonitrile | CHEMBL497018
Type:
Small organic molecule
Emp. Form.:
C24H22N6O
Mol. Mass.:
410.4711
SMILES:
OCCCn1cnc2c(NCc3cccc(c3)-c3cccc(C=C)c3)nc(nc12)C#N
Structure:
Search PDB for entries with ligand similarity: