| Reaction Details |
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 | Report a problem with these data |
| Target | Enoyl-[acyl-carrier-protein] reductase [NADH] |
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| Ligand | BDBM16300 |
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| Substrate/Competitor | BDBM16293 |
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| Meas. Tech. | Measurement of Inhibition Constants |
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| pH | 6.8±n/a |
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| Temperature | 295.15±n/a K |
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| Ki | 0.75±0.08 nM |
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| Km | 29000±n/a nM |
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| Comments | Ki for the inhibition of InhA by the INH-NAD adduct was from Rawat et al., Proc. Natl. Acad. Sci. U.S.A. 100, 13881-13886. |
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| Citation |  Sullivan, TJ; Truglio, JJ; Boyne, ME; Novichenok, P; Zhang, X; Stratton, CF; Li, HJ; Kaur, T; Amin, A; Johnson, F; Slayden, RA; Kisker, C; Tonge, PJ High affinity InhA inhibitors with activity against drug-resistant strains of Mycobacterium tuberculosis. ACS Chem Biol1:43-53 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, 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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| BDBM16300 |
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| BDBM16293 |
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| Name | BDBM16300 |
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| Synonyms: | INH-NAD Adduct | ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE | [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridin-4-ylcarbonyl)-1,4-dihydropyridin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3S,4R,5R)-5-[(4S)-3-carbamoyl-4-(pyridine-4-carbonyl)-4H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid |
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| Type | n/a |
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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](CO[P@](O)(=O)O[P@](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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