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Reaction Details
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TargetCysteine protease
LigandBDBM50314127
Substrate/Competitorn/a
Meas. Tech.ChEMBL_623874 (CHEMBL1105397)
Ki 1400±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:
BDBM50314127
n/a
NameBDBM50314127
Synonyms:(S)-Benzyl-2-{(Z)-3-[(S)-1-((S)-1-benzyloxycarbonylethylcarbamoyl)-2-phenylethylcarbamoyl]acryloylamino}-3-phenylpropionate | CHEMBL1090971
TypeSmall organic molecule
Emp. Form.C32H33N3O7
Mol. Mass.571.6203
SMILESC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)C(O)=O |r|
Structure
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