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Target
Enoyl-[acyl-carrier-protein] reductase [NADH]
Ligand
BDBM50520249
Substrate
n/a
Meas. Tech.
ChEMBL_1879547 (CHEMBL4380941)
IC50
31500±n/a nM
Citation
 Kienle, M; Eisenring, P; Stoessel, B; Horlacher, OP; Hasler, S; van Colen, G; Hartkoorn, RC; Vocat, A; Cole, ST; Altmann, KH Synthesis and Structure-Activity Relationship Studies of C2-Modified Analogs of the Antimycobacterial Natural Product Pyridomycin. J Med Chem 63:1105-1131 (2020) [PubMed]  Article
Target
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:
MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
  
Inhibitor
Name:
BDBM50520249
Synonyms:
CHEMBL4548115
Type:
Small organic molecule
Emp. Form.:
C27H34N4O8
Mol. Mass.:
542.5809
SMILES:
[H][C@@]1(OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O)[C@H](C)CC |r|
Structure:
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