Reaction Details Report a problem with these data
Target
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Ligand
BDBM8758
Substrate
BDBM8737
Meas. Tech.
Enzyme Inhibition Assay
Temperature
303.15±n/a K
IC50
>100000±n/a nM
Comments
extracted
Citation
 Heerding, DA; Chan, G; DeWolf, WE; Fosberry, AP; Janson, CA; Jaworski, DD; McManus, E; Miller, WH; Moore, TD; Payne, DJ; Qiu, X; Rittenhouse, SF; Slater-Radosti, C; Smith, W; Takata, DT; Vaidya, KS; Yuan, CC; Huffman, WF 1,4-Disubstituted imidazoles are potential antibacterial agents functioning as inhibitors of enoyl acyl carrier protein reductase (FabI). Bioorg Med Chem Lett 11:2061-5 (2001) [PubMed]  Article 
Target
Name:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
Synonyms:
Enoyl - (acyl carrier protein) reductase | Enoyl-ACP Reductase (FabI) | Enoyl-[acyl-carrier-protein] reductase | Enoyl-acyl carrier protein reductase (FabI) | FABI_ECOLI | NADH-dependent enoyl-ACP reductase | envM | fabI
Type:
Enzyme
Mol. Mass.:
27861.12
Organism:
Escherichia coli
Description:
n/a
Residue:
262
Sequence:
MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEEFAAQLGSDIVLQCDVAEDASIDTMFAELGKVWPKFDGFVHSIGFAPGDQLDGDYVNAVTREGFKIAHDISSYSFVAMAKACRSMLNPGSALLTLSYLGAERAIPNYNVMGLAKASLEANVRYMANAMGPEGVRVNAISAGPIRTLAASGIKDFRKMLAHCEAVTPIRRTVTIEDVGNSAAFLCSDLSAGISGEVVHVDGGFSIAAMNELELK
  
Inhibitor
Name:
BDBM8758
Synonyms:
5-[(4-methylphenyl)methyl]-3-(thiophen-3-yl)-1,2,4-oxadiazole | oxadiazole 33
Type:
Small organic molecule
Emp. Form.:
C14H12N2OS
Mol. Mass.:
256.323
SMILES:
Cc1ccc(Cc2nc(no2)-c2ccsc2)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:
Search PDB for entries with ligand similarity: