Reaction Details |
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Target | Enoyl-[acyl-carrier-protein] reductase [NADH] |
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Ligand | BDBM50448838 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1296166 (CHEMBL3132000) |
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IC50 | 6.0±n/a nM |
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Citation | Encinas, L; O'Keefe, H; Neu, M; Remuiñán, MJ; Patel, AM; Guardia, A; Davie, CP; Pérez-Macías, N; Yang, H; Convery, MA; Messer, JA; Pérez-Herrán, E; Centrella, PA; Alvarez-Gómez, D; Clark, MA; Huss, S; O'Donovan, GK; Ortega-Muro, F; McDowell, W; Castañeda, P; Arico-Muendel, CC; Pajk, S; Rullás, J; Angulo-Barturen, I; Alvarez-Ruíz, E; Mendoza-Losana, A; Ballell Pages, L; Castro-Pichel, J; Evindar, G Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA. J Med Chem57:1276-88 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Enoyl-[acyl-carrier-protein] reductase [NADH] |
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Name: | Enoyl-[acyl-carrier-protein] reductase [NADH] |
Synonyms: | Enoyl-ACP Reductase (InhA) | Enoyl-[acyl-carrier-protein] reductase | Enoyl-[acyl-carrier-protein] reductase [NADH] | INHA_MYCTU | NADH-dependent enoyl-ACP reductase | inhA |
Type: | Enzyme |
Mol. Mass.: | 28526.00 |
Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
Description: | P9WGR1 |
Residue: | 269 |
Sequence: | MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPL
LELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGI
HISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAG
KYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAK
TVCALLSDWLPATTGDIIYADGGAHTQLL
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BDBM50448838 |
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n/a |
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Name | BDBM50448838 |
Synonyms: | CHEMBL3125247 |
Type | Small organic molecule |
Emp. Form. | C29H30FN5O4 |
Mol. Mass. | 531.578 |
SMILES | CCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCCc2ccc(F)cc2)n(C)n1 |r| |
Structure |
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