Reaction Details |
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Target | Trypanothione reductase |
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Ligand | BDBM50280882 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_211972 |
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Ki | 43000±n/a nM |
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Citation | Tromelin, A; Moutiez, M; Meziane-Cherif, D; Aumercier, M; Tartar, A; Sergheraert, C Synthesis of non reducible inhibitors for trypanothione reductase from Trypanosoma cruzi. Bioorg Med Chem Lett3:1971-1976 (1993) 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 |
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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BDBM50280882 |
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n/a |
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Name | BDBM50280882 |
Synonyms: | (3-(2-Benzyloxycarbonylamino-2-{[(3-dimethylamino-propylcarbamoyl)-methyl]-carbamoyl}-ethylsulfanyl)-1-{[(3-dimethylamino-propylcarbamoyl)-methyl]-carbamoyl}-propyl)-carbamic acid benzyl ester | CHEMBL60430 |
Type | Small organic molecule |
Emp. Form. | C37H56N8O8S |
Mol. Mass. | 772.954 |
SMILES | CN(C)CCCNC(=O)CNC(=O)C(CCSCC(NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCN(C)C)NC(=O)OCc1ccccc1 |
Structure |
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