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Target
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Ligand
BDBM8768
Substrate
BDBM8737
Meas. Tech.
Enzyme Inhibition Assay
pH
6.5±n/a
Temperature
303.15±n/a K
IC50
670±n/a nM
Citation
 Seefeld, MA; Miller, WH; Newlander, KA; Burgess, WJ; Payne, DJ; Rittenhouse, SF; Moore, TD; DeWolf, WE; Keller, PM; Qiu, X; Janson, CA; Vaidya, K; Fosberry, AP; Smyth, MG; Jaworski, DD; Slater-Radosti, C; Huffman, WF Inhibitors of bacterial enoyl acyl carrier protein reductase (FabI): 2,9-disubstituted 1,2,3,4-tetrahydropyrido[3,4-b]indoles as potential antibacterial agents. Bioorg Med Chem Lett 11:2241-4 (2001) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI
Synonyms:
Enoyl-ACP Reductase (FabI) | Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI | FABI_STAAR | NADPH-dependent enoyl-ACP reductase | fabI | trans-2-enoyl-[acyl carrier protein] reductase
Type:
Enzyme
Mol. Mass.:
27989.00
Organism:
Staphylococcus aureus
Description:
Q6GI75
Residue:
256
Sequence:
MLNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGFHAIK
  
Inhibitor
Name:
BDBM8768
Synonyms:
1,2,3,4-Tetrahydropyrido[3,4-b]indole 12 | 4-({9-[(4-aminophenyl)methyl]-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-2-yl}carbonyl)phenol
Type:
Small organic molecule
Emp. Form.:
C25H23N3O2
Mol. Mass.:
397.469
SMILES:
Nc1ccc(Cn2c3CN(CCc3c3ccccc23)C(=O)c2ccc(O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8737
Synonyms:
2-Butenoyl-CoA | But-2-enoyl-CoA | Crotonoyl-CoA | trans-butyr-2-enoyl-CoA | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-{[({[(3-{[2-({2-[(2E)-but-2-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl)oxy]methyl}-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
Type:
Small organic molecule
Emp. Form.:
C25H40N7O17P3S
Mol. Mass.:
835.608
SMILES:
C\C=C\C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 |r|
Structure:
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