Reaction Details
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Target
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Ligand
BDBM8730
Substrate
Crotonoyl-ACP
Meas. Tech.
Enzyme Inhibition Assay
Temperature
303.15±n/a K
IC50
1300±n/a nM
Comments
extracted
Citation
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More Info.:
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Synonyms:
Enoyl-ACP Reductase (FabI) | FABI_HAEIN | NADH-dependent enoyl-ACP reductase | envM | fabI
Type:
Enzyme
Mol. Mass.:
28115.25
Organism:
Haemophilus influenzae
Description:
P44432
Residue:
262
Sequence:
MGFLTGKRILVTGLASNRSIAYGIAKSMKEQGAELAFTYLNDKLQPRVEEFAKEFGSDIVLPLDVATDESIQNCFAELSKRWDKFDGFIHAIAFAPGDQLDGDYVNAATREGYRIAHDISAYSFVAMAQAARPYLNPNAALLTLSYLGAERAIPNYNVMCLAKASLEAATRVMAADLGKEGIRVNAISAGPIRTLAASGIKNFKKMLSTFEKTAALRRTVTIEDVGNSAAFLCSDLASGITGEIVHVDAGFSITAMGELGEE
Inhibitor
Name:
BDBM8730
Synonyms:
(2E)-3-(6-acetamidopyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide | (E)-3-[6-Acetylamino)pyridin-3-yl]-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)acrylamide | Acetamido deriv. 12
Type:
Small organic molecule
Emp. Form.:
C21H22N4O2
Mol. Mass.:
362.425
SMILES:
CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1ccc(NC(C)=O)nc1
Substrate
Name:
Crotonoyl-ACP
Synonyms:
n/a
Type:
Other Protein Type
Mol. Mass.:
358.43
Organism:
n/a
Description:
1. NAD(P)H is its co-substrate. 2. Crotonoyl-ACP was synthesized using ACP synthase to catalyse the addition of a crotonoyl group from crotonoyl-CoA to apo-ACP
Residue:
3
Sequence:
NA