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Target
Acyl-homoserine lactone acylase PvdQ [A190E,F674L]
Ligand
BDBM113815
Substrate
n/a
Meas. Tech.
PvdQ IC50 Assay
IC50
2.9e+2± 1.2e+2 nM
Citation
 Wurst, JM; Drake, EJ; Theriault, JR; Jewett, IT; VerPlank, L; Perez, JR; Dandapani, S; Palmer, M; Moskowitz, SM; Schreiber, SL; Munoz, B; Gulick, AM Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine. ACS Chem Biol 9:1536-44 (2014) [PubMed]  Article 
Target
Name:
Acyl-homoserine lactone acylase PvdQ [A190E,F674L]
Synonyms:
PVDQ_PSEAE | pvdQ | qsc112
Type:
Protein
Mol. Mass.:
84038.62
Organism:
Pseudomonas aeruginosa
Description:
Ntn hydrolase
Residue:
762
Sequence:
MGMRTVLTGLAGMLLGSMMPVQADMPRPTGLAADIRWTAYGVPHIRAKDERGLGYGIGYAYARDNACLLAEEIVTARGERARYFGSEGKSSAELDNLPSDIFYAWLNQPEALQAFWQAQTPAVRQLLEGYAAGFNRFLREADGKTTSCLGQPWLRAIATDDLLRLTRRLLVEGGVGQFADALVAAAPPGTEKVALSGEQAFQVAEQRRQRFRLERGSNAIAVGSERSADGKGMLLANPHFPWNGAMRFYQMHLTIPGRLDVMGASLPGLPVVNIGFSRHLAWTHTVDTSSHFTLYRLALDPKDPRRYLVDGRSLPLEEKSVAIEVRGADGKLSRVEHKVYQSIYGPLVVWPGKLDWNRSEAYALRDANLENTRVLQQWYSINQASDVADLRRRVEALQGIPWVNTLAADEQGNALYMNQSVVPYLKPELIPACAIPQLVAEGLPALQGQDSRCAWSRDPAAAQAGITPAAQLPVLLRRDFVQNSNDSAWLTNPASPLQGFSPLVSQEKPIGPRARYALSRLQGKQPLEAKTLEEMVTANHVFSADQVLPDLLRLCRDNQGEKSLARACAALAQWDRGANLDSGSGFVYFQRFMQRFAELDGAWKEPFDAQRPLDTPQGIALDRPQVATQVRQALADAAAEVEKSGIPDGARWGDLQVSTRGQERIAIPGGDGHLGVYNAIQSVRKGDHLEVVGGTSYIQLVTFPEEGPKARGLLAFSQSSDPRSPHYRDQTELFSRQQWQTLPFSDRQIDADPQLQRLSIRE
  
Inhibitor
Name:
BDBM113815
Synonyms:
2-(4-Fluorophenyl)-4-methoxybutanenitrile (47)
Type:
Small organic molecule
Emp. Form.:
C11H12FNO
Mol. Mass.:
193.2175
SMILES:
COCCC(C#N)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: