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Reaction Details
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TargetCysteine protease
LigandBDBM50314129
Substrate/Competitorn/a
Meas. Tech.ChEMBL_623874 (CHEMBL1105397)
Ki 7600±n/a nM
Citation Breuning, ADegel, BSchulz, FBüchold, CStempka, MMachon, UHeppner, SGelhaus, CLeippe, MLeyh, MKisker, CRath, JStich, AGut, JRosenthal, PJSchmuck, CSchirmeister, T Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids. J Med Chem53:1951-63 (2010) [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:
BDBM50314129
n/a
NameBDBM50314129
Synonyms:(S,E)-3-((S)-1-Benzyloxycarbonyl-2-phenylethylcarbamoyl)-acrylic acid ethyl ester | CHEMBL1092752
TypeSmall organic molecule
Emp. Form.C22H23NO5
Mol. Mass.381.4217
SMILESCCOC(=O)\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 |r|
Structure
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