Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50594412
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2212689 (CHEMBL5125638)
Ki 1.1±n/a nM
Citation Previti, SEttari, RCalcaterra, EDi Chio, CRavichandran, RZimmer, CHammerschmidt, SWagner, ABogacz, MCosconati, SSchirmeister, TZappalą, M Development of Urea-Bond-Containing Michael Acceptors as Antitrypanosomal Agents Targeting Rhodesain. ACS Med Chem Lett13:1083-1090 (2022) [PubMed]  Article
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:
BDBM50594412
n/a
NameBDBM50594412
Synonyms:CHEMBL5175052
TypeSmall organic molecule
Emp. Form.C30H33N3O4
Mol. Mass.499.6007
SMILESCOc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)\C=C\C(C)=O)cc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: