Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Ligand
BDBM8728
Substrate
Crotonoyl-ACP
Meas. Tech.
Enzyme Inhibition Assay
Temperature
303.15±n/a K
IC50
6100±n/a nM
Comments
extracted
Citation
 Seefeld, MA; Miller, WH; Newlander, KA; Burgess, WJ; DeWolf, WE; Elkins, PA; Head, MS; Jakas, DR; Janson, CA; Keller, PM; Manley, PJ; Moore, TD; Payne, DJ; Pearson, S; Polizzi, BJ; Qiu, X; Rittenhouse, SF; Uzinskas, IN; Wallis, NG; Huffman, WF Indole naphthyridinones as inhibitors of bacterial enoyl-ACP reductases FabI and FabK. J Med Chem 46:1627-35 (2003) [PubMed]  Article 
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 (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Description:
P44432
Residue:
262
Sequence:
MGFLTGKRILVTGLASNRSIAYGIAKSMKEQGAELAFTYLNDKLQPRVEEFAKEFGSDIVLPLDVATDESIQNCFAELSKRWDKFDGFIHAIAFAPGDQLDGDYVNAATREGYRIAHDISAYSFVAMAQAARPYLNPNAALLTLSYLGAERAIPNYNVMCLAKASLEAATRVMAADLGKEGIRVNAISAGPIRTLAASGIKNFKKMLSTFEKTAALRRTVTIEDVGNSAAFLCSDLASGITGEIVHVDAGFSITAMGELGEE
  
Inhibitor
Name:
BDBM8728
Synonyms:
(2E)-3-(6-amino-5-methylpyridin-3-yl)-N-methyl-N-[(1-methyl-1H-indol-2-yl)methyl]prop-2-enamide | aminopyridine 5
Type:
Small organic molecule
Emp. Form.:
C20H22N4O
Mol. Mass.:
334.4149
SMILES:
CN(Cc1cc2ccccc2n1C)C(=O)\C=C\c1cnc(N)c(C)c1
Structure:
Search PDB for entries with ligand similarity:
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