Reaction Details |
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Target | Enoyl-[acyl-carrier-protein] reductase [NADH] |
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Ligand | BDBM50442998 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1276823 (CHEMBL3089491) |
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IC50 | 34000±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] |
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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BDBM50442998 |
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n/a |
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Name | BDBM50442998 |
Synonyms: | CHEMBL3087017 |
Type | Small organic molecule |
Emp. Form. | C19H16F2N6O2S2 |
Mol. Mass. | 462.496 |
SMILES | Cc1csc(n1)C(C)(O)c1nnc(NC(=O)c2ccn(Cc3c(F)cccc3F)n2)s1 |
Structure |
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