Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50314125
Substrate/Competitorn/a
Meas. Tech.ChEMBL_623886 (CHEMBL1105409)
Ki 300±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:
BDBM50314125
n/a
NameBDBM50314125
Synonyms:(S,E)-Ethyl 4-((S)-2-(tert-Butoxycarbonylamino)-2-phenylacetamido)-7-oxo-7-(tritylamino)hept-2-enoate | CHEMBL1090281
TypeSmall organic molecule
Emp. Form.C41H45N3O6
Mol. Mass.675.8125
SMILESCCOC(=O)\C=C\[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: