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Target
Cysteine protease
Ligand
BDBM8964
Substrate
n/a
Meas. Tech.
ChEMBL_1705909 (CHEMBL4057142)
IC50
16900±n/a nM
Citation
 Schmidt, I; Göllner, S; Fuß, A; Stich, A; Kucharski, A; Schirmeister, T; Katzowitsch, E; Bruhn, H; Miliu, A; Krauth-Siegel, RL; Holzgrabe, U Bistacrines as potential antitrypanosomal agents. Bioorg Med Chem 25:4526-4531 (2017) [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:
BDBM8964
Synonyms:
CHEMBL75274 | Homodimeric Tacrine Analog 3c | N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine | Tacrine Dimer 3c | Tacrine-Based Inhibitor 2g
Type:
Small organic molecule
Emp. Form.:
C34H42N4
Mol. Mass.:
506.7241
SMILES:
C(CCCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12
Structure:
Search PDB for entries with ligand similarity: