| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Trypanothione reductase |
|---|
| Ligand | BDBM50354267 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_770788 (CHEMBL1837593) |
|---|
| IC50 | 1600±n/a nM |
|---|
| 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 |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Trypanothione reductase |
|---|
| Name: | Trypanothione reductase |
|---|
| Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYBB | Trypanothione Reductase (TryR) |
|---|
| Type: | Homodimer; oxidoreductase |
|---|
| Mol. Mass.: | 53285.53 |
|---|
| Organism: | Trypanosoma brucei brucei |
|---|
| Description: | n/a |
|---|
| Residue: | 492 |
|---|
| Sequence: | MSKIFDLVVIGAGSGGLEAGWNAATLYKKRVAVIDVQTHHGPPHYAALGGTCVNVGCVPK
KLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGL
DFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGVEHCISSNE
AFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTK
QLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVG
VKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVFGNKPRKTDHT
RVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLMHNISGSKYKKFVAKIVTNHS
DGTVLGVHLLGDGAPEIIQAVGVCLRLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYLK
GEKMETLPESSL
|
|
|
|---|
| BDBM50354267 |
|---|
| n/a |
|---|
| Name | BDBM50354267 |
|---|
| Synonyms: | CHEMBL1836569 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H29ClN4O2 |
|---|
| Mol. Mass. | 440.966 |
|---|
| SMILES | COCC(=O)N1CCN(CCN2C(c3ccccc3)c3cc(Cl)ccc3N=C2C)CC1 |c:28| |
|---|
| Structure | 
|
|---|
Search and Browse
