Reaction Details |
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Target | Trypanothione reductase |
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Ligand | BDBM50445450 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1284130 (CHEMBL3107514) |
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IC50 | >100000±n/a nM |
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Citation | Braga, SF; Alves, ÉV; Ferreira, RS; Fradico, JR; Lage, PS; Duarte, MC; Ribeiro, TG; Júnior, PA; Romanha, AJ; Tonini, ML; Steindel, M; Coelho, EF; de Oliveira, RB Synthesis and evaluation of the antiparasitic activity of bis-(arylmethylidene) cycloalkanones. Eur J Med Chem71:282-9 (2014) [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 |
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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BDBM50445450 |
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n/a |
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Name | BDBM50445450 |
Synonyms: | CHEMBL3104704 |
Type | Small organic molecule |
Emp. Form. | C29H30N6O3 |
Mol. Mass. | 510.5869 |
SMILES | OCCc1cn(Cc2ccc(\C=C3/CC\C(=C/c4ccc(Cn5cc(CCO)nn5)cc4)C3=O)cc2)nn1 |
Structure |
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