BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50311245
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2284568
Ki 6.0±n/a nM
Citation Rocha, DASilva, EBFortes, ISLopes, MSFerreira, RSAndrade, SF Synthesis and structure-activity relationship studies of cruzain and rhodesain inhibitors. Eur J Med Chem157:1426-1459 (2018) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Cysteine protease
Name:Cysteine protease
Synonyms:Rhodesain
Type:PROTEIN
Mol. Mass.:48425.78
Organism:Trypanosoma brucei rhodesiense
Description:ChEMBL_619861
Residue:450
Sequence:
MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAF
RFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVN
VTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVS
CDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDH
VDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNP
PYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDF
CEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPL
DKCIPILIGSVEYHCSTNPPTKAARLVPHQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50311245
n/a
NameBDBM50311245
Synonyms:(S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)thiazole-5-carboxamide | CHEMBL1078675
TypeSmall organic molecule
Emp. Form.C28H26N2O3S2
Mol. Mass.502.648
SMILESCc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: