Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCysteine protease
LigandBDBM50518231
Substrate/Competitorn/a
Meas. Tech.ChEMBL_2014412 (CHEMBL4667990)
IC50 30000±n/a nM
Citation Pereira, GANda Silva, EBBraga, SFPLeite, PGMartins, LCVieira, RPSoh, WTVillela, FSCosta, FMRRay, Dde Andrade, SFBrandstetter, HOliveira, RBCaffrey, CRMachado, FSFerreira, RS Discovery and characterization of trypanocidal cysteine protease inhibitors from the 'malaria box'. Eur J Med Chem179:765-778 (2019) [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:
BDBM50518231
n/a
NameBDBM50518231
Synonyms:CHEMBL597248 | GNF-Pf-4180 | MMV006169
TypeSmall organic molecule
Emp. Form.C21H18N4
Mol. Mass.326.3944
SMILESC(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: