Reaction Details Report a problem with these data
Target
Acyl-homoserine lactone acylase PvdQ [A190E,F674L]
Ligand
BDBM113818
Substrate
n/a
Meas. Tech.
PvdQ IC50 Assay
IC50
3.7e+2± 8e+1 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:
BDBM113818
Synonyms:
2-(5-Fluoropyridin-2-yl)hexanenitrile (50)
Type:
Small organic molecule
Emp. Form.:
C11H13FN2
Mol. Mass.:
192.2327
SMILES:
CCCCC(C#N)c1ccc(F)cn1
Structure:
Search PDB for entries with ligand similarity: