Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50311248
Substrate
n/a
Meas. Tech.
ChEMBL_619861 (CHEMBL1109342)
IC50
10±n/a nM
Citation
 Bryant, C; Kerr, ID; Debnath, M; Ang, KK; Ratnam, J; Ferreira, RS; Jaishankar, P; Zhao, D; Arkin, MR; McKerrow, JH; Brinen, LS; Renslo, AR Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg Med Chem Lett 19:6218-21 (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:
BDBM50311248
Synonyms:
(S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)isoxazole-5-carboxamide | CHEMBL1078855
Type:
Small organic molecule
Emp. Form.:
C27H24N2O4S
Mol. Mass.:
472.555
SMILES:
O=C(N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)c1cc(no1)-c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: