Reaction Details
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Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Ligand
BDBM8735
Substrate
Crotonoyl-ACP
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5000±n/a
Temperature
303.1500±n/a K
IC50
60±6 nM
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 [NADPH] FabI
Synonyms:
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | NADPH-dependent enoyl-ACP reductase | trans-2-enoyl-[acyl carrier protein] reductase | FABI_STAAR | fabI | Enoyl-ACP Reductase (FabI)
Type:
Enzyme
Mol. Mass.:
27989.00
Organism:
Staphylococcus aureus (strain MRSA252)
Description:
Q6GI75
Residue:
256
Sequence:
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
Inhibitor
Name:
BDBM8735
Synonyms:
(E)-N-(1,2-Dimethyl-1H-indol-3-ylmethyl)-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide | (2E)-N-[(1,2-dimethyl-1H-indol-3-yl)methyl]-N-methyl-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide | indole naphthyridinone 31
Type:
Small organic molecule
Emp. Form.:
C23H24N4O2
Mol. Mass.:
388.19
SMILES:
Cc1c(c2ccccc2n1C)CN(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)CC4
Structure:
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