| Reaction Details |
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 | Report a problem with these data |
| Target | Trypanothione reductase |
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| Ligand | BDBM50354299 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_770788 (CHEMBL1837593) |
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| IC50 | 930±n/a nM |
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| Citation |  Patterson, S; Alphey, MS; Jones, DC; Shanks, EJ; Street, IP; Frearson, JA; Wyatt, PG; Gilbert, IH; Fairlamb, AH Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography. J Med Chem54:6514-30 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Trypanothione reductase |
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| Name: | Trypanothione reductase |
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| Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYBB | Trypanothione Reductase (TryR) |
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| Type: | Homodimer; oxidoreductase |
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| Mol. Mass.: | 53285.53 |
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| Organism: | Trypanosoma brucei brucei |
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| Description: | n/a |
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| Residue: | 492 |
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| Sequence: | MSKIFDLVVIGAGSGGLEAGWNAATLYKKRVAVIDVQTHHGPPHYAALGGTCVNVGCVPK
KLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGL
DFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGVEHCISSNE
AFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTK
QLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVG
VKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVFGNKPRKTDHT
RVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLMHNISGSKYKKFVAKIVTNHS
DGTVLGVHLLGDGAPEIIQAVGVCLRLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYLK
GEKMETLPESSL
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| BDBM50354299 |
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| n/a |
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| Name | BDBM50354299 |
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| Synonyms: | CHEMBL1836378 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H27ClN4 |
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| Mol. Mass. | 382.93 |
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| SMILES | CN1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:24| |
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| Structure | 
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