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TargetEnoyl-ACP Reductase (InhA)
LigandBDBM50448875
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1296166
IC50 3.0±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 Chem 57:1276-88 (2014) [PubMed]  Article
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Enoyl-ACP Reductase (InhA)
Name:Enoyl-ACP Reductase (InhA)
Synonyms:Enoyl-[acyl-carrier-protein] reductase | NADH-dependent enoyl-ACP reductase
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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  Blast E-value cutoff:
BDBM50448875
n/a
NameBDBM50448875
Synonyms:CHEMBL3125266
TypeSmall organic molecule
Emp. Form.C25H29N5O6
Mol. Mass.495.5277
SMILESCCc1cc(C(=O)N[C@@H]2C[C@H](N(C2)C(=O)c2coc3ccccc23)C(=O)NCC(=O)OC)n(CC)n1 |r|
Structure
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