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TargetEnoyl-[acyl-carrier-protein] reductase [NADH]
LigandBDBM50448855
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1296166 (CHEMBL3132000)
IC50 46±n/a nM
Citation Encinas, LO'Keefe, HNeu, MRemuiñán, MJPatel, AMGuardia, ADavie, CPPérez-Macías, NYang, HConvery, MAMesser, JAPérez-Herrán, ECentrella, PAAlvarez-Gómez, DClark, MAHuss, SO'Donovan, GKOrtega-Muro, FMcDowell, WCastañeda, PArico-Muendel, CCPajk, SRullás, JAngulo-Barturen, IAlvarez-Ruíz, EMendoza-Losana, ABallell Pages, LCastro-Pichel, JEvindar, 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
More Info.:Get all data from this article,  Assay Method
 
Enoyl-[acyl-carrier-protein] reductase [NADH]
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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BDBM50448855
n/a
NameBDBM50448855
Synonyms:CHEMBL3125281
TypeSmall organic molecule
Emp. Form.C23H24F3N5O4
Mol. Mass.491.463
SMILESCCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCC(F)(F)F)n(C)n1 |r|
Structure
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