Reaction Details |
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Target | Trypanothione reductase |
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Ligand | BDBM50091148 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_211806 (CHEMBL811878) |
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Ki | 560±n/a nM |
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Citation | Khan, MO; Austin, SE; Chan, C; Yin, H; Marks, D; Vaghjiani, SN; Kendrick, H; Yardley, V; Croft, SL; Douglas, KT Use of an additional hydrophobic binding site, the Z site, in the rational drug design of a new class of stronger trypanothione reductase inhibitor, quaternary alkylammonium phenothiazines. J Med Chem43:3148-56 (2000) [PubMed] |
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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 |
Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYCR |
Type: | Homodimer; oxidoreductase |
Mol. Mass.: | 53868.26 |
Organism: | Trypanosoma cruzi |
Description: | n/a |
Residue: | 492 |
Sequence: | MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVP
KKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEG
LEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSN
EAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELT
KQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNA
GVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHT
RVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHS
DGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVK
GEKMEKPSEASL
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BDBM50091148 |
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n/a |
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Name | BDBM50091148 |
Synonyms: | CHEMBL106769 | [3-(2-Chloro-phenothiazin-10-yl)-propyl]-(7-methoxy-2-oxo-2H-chromen-4-ylmethyl)-dimethyl-ammonium (OFK014) |
Type | Small organic molecule |
Emp. Form. | C28H28ClN2O3S |
Mol. Mass. | 508.051 |
SMILES | COc1ccc2c(C[N+](C)(C)CCCN3c4ccccc4Sc4ccc(Cl)cc34)cc(=O)oc2c1 |
Structure |
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