Reaction Details Report a problem with these data
Target
Cysteine protease
Ligand
BDBM50240948
Substrate
n/a
Meas. Tech.
ChEMBL_652322 (CHEMBL1225525)
Ki
5310±n/a nM
Citation
 Waag, T; Gelhaus, C; Rath, J; Stich, A; Leippe, M; Schirmeister, T Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorg Med Chem Lett 20:5541-3 (2010) [PubMed]  Article 
Target
Name:
Cysteine protease
Synonyms:
Rhodesain
Type:
PROTEIN
Mol. Mass.:
48425.78
Organism:
Trypanosoma brucei rhodesiense
Description:
ChEMBL_619861
Residue:
450
Sequence:
MPRTEMVRFVRLPVVLLAMAACLASVALGSLHVEESLEMRFAAFKKKYGKVYKDAKEEAFRFRAFEENMEQAKIQAAANPYATFGVTPFSDMTREEFRARYRNGASYFAAAQKRLRKTVNVTTGRAPAAVDWREKGAVTPVKDQGQCGSCWAFSTIGNIEGQWQVAGNPLVSLSEQMLVSCDTIDFGCGGGLMDNAFNWIVNSNGGNVFTEASYPYVSGNGEQPQCQMNGHEIGAAITDHVDLPQDEDAIAAYLAENGPLAIAVDATSFMDYNGGILTSCTSEQLDHGVLLVGYNDSSNPPYWIIKNSWSNMWGEDGYIRIEKGTNQCLMNQAVSSAVVGGPTPPPPPPPPPSATFTQDFCEGKGCTKGCSHATFPTGECVQTTGVGSVIATCGASNLTQIIYPLSRSCSGLSVPITVPLDKCIPILIGSVEYHCSTNPPTKAARLVPHQ
  
Inhibitor
Name:
BDBM50240948
Synonyms:
CHEMBL359965 | S-allyl prop-2-ene-1-sulfinothioate | allicin | thio-2-propene-1-sulfinic acid S-allyl ester
Type:
Small organic molecule
Emp. Form.:
C6H10OS2
Mol. Mass.:
162.273
SMILES:
C=CCSS(=O)CC=C
Structure:
Search PDB for entries with ligand similarity: