Target
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Ligand
BDBM31931
Substrate
BDBM8737
Meas. Tech.
Enzymatic Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
9920±590 nM
Comments
81.4% inhibition @ 50 uM.
Citation
 He, LZhang, LLiu, XLi, XZheng, MLi, HYu, KChen, KShen, XJiang, HLiu, H Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination. J Med Chem 52:2465-81 (2009) [PubMed]  Article 
Target
Name:
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ
Synonyms:
(3R)-hydroxymyristoyl ACP dehydrase | (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase | FABZ_HELPY | beta-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) | fabZ
Type:
Lyase
Mol. Mass.:
18198.05
Organism:
Helicobacter pylori (Campylobacter pylori)
Description:
HpfabZ is expressed and purified from E. coli.
Residue:
159
Sequence:
MEQSHQNLQSQFFIEHILQILPHRYPMLLVDRIIELQANKKIVAYKNITFNEDVFNGHFPNKPIFPGVLIVEGMAQTGGFLAFTSLWGFDPEIAKTKIVYFMTIDKVKFRIPVTPGDRLEYHLEVLKHKGMIWQVGGTAQVDGKVVAEAELKAMIAERD
  
Inhibitor
Name:
BDBM31931
Synonyms:
carbohydrazide derivative, 3n
Type:
Small organic molecule
Emp. Form.:
C15H12Br2N2O4
Mol. Mass.:
444.075
SMILES:
COc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
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: