| Reaction Details |
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 | Report a problem with these data |
| Target | Enoyl-[acyl-carrier-protein] reductase [NADH] |
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| Ligand | BDBM50425950 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1276826 (CHEMBL3089494) |
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| Ki | 0.750000±n/a nM |
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| Citation |  Shirude, PS; Madhavapeddi, P; Naik, M; Murugan, K; Shinde, V; Nandishaiah, R; Bhat, J; Kumar, A; Hameed, S; Holdgate, G; Davies, G; McMiken, H; Hegde, N; Ambady, A; Venkatraman, J; Panda, M; Bandodkar, B; Sambandamurthy, VK; Read, JA Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis. J Med Chem56:8533-42 (2013) [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] |
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| Synonyms: | Enoyl-ACP Reductase (InhA) | Enoyl-[acyl-carrier-protein] reductase | Enoyl-[acyl-carrier-protein] reductase [NADH] | INHA_MYCTU | NADH-dependent enoyl-ACP reductase | inhA |
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| Type: | Enzyme |
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| Mol. Mass.: | 28526.00 |
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| Organism: | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) |
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| Description: | P9WGR1 |
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| Residue: | 269 |
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| Sequence: | MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPL
LELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGI
HISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAG
KYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAK
TVCALLSDWLPATTGDIIYADGGAHTQLL
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| BDBM50425950 |
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| n/a |
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| Name | BDBM50425950 |
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| Synonyms: | CHEMBL2311561 | Isoniazid-NAD |
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| Type | Small organic molecule |
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| Emp. Form. | C27H32N8O15P2 |
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| Mol. Mass. | 770.5351 |
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| SMILES | NC(=O)C1=CN(C=C[C@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| |
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| Structure | 
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