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Target
Acyl-homoserine lactone acylase PvdQ
Ligand
BDBM113772
Substrate
n/a
Meas. Tech.
ChEMBL_2296499
Ki
190±n/a nM
Citation
 Wagner, S; Sommer, R; Hinsberger, S; Lu, C; Hartmann, RW; Empting, M; Titz, A Novel Strategies for the Treatment of Pseudomonas aeruginosa Infections. J Med Chem 59:5929-69 (2016) [PubMed] 
Target
Name:
Acyl-homoserine lactone acylase PvdQ
Synonyms:
3.5.1.97 | AHL acylase PvdQ | Acyl-HSL acylase PvdQ | Acyl-HSL acylase PvdQ subunit alpha | Acyl-HSL acylase PvdQ subunit beta | Acyl-homoserine lactone acylase PvdQ | Acyl-homoserine lactone acylase PvdQ subunit alpha | Acyl-homoserine lactone acylase PvdQ subunit beta | pvdQ | qsc112
Type:
PROTEIN
Mol. Mass.:
84042.61
Organism:
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)
Description:
ChEMBL_103957
Residue:
762
Sequence:
MGMRTVLTGLAGMLLGSMMPVQADMPRPTGLAADIRWTAYGVPHIRAKDERGLGYGIGYAYARDNACLLAEEIVTARGERARYFGSEGKSSAELDNLPSDIFYAWLNQPEALQAFWQAQTPAVRQLLEGYAAGFNRFLREADGKTTSCLGQPWLRAIATDDLLRLTRRLLVEGGVGQFADALVAAAPPGAEKVALSGEQAFQVAEQRRQRFRLERGSNAIAVGSERSADGKGMLLANPHFPWNGAMRFYQMHLTIPGRLDVMGASLPGLPVVNIGFSRHLAWTHTVDTSSHFTLYRLALDPKDPRRYLVDGRSLPLEEKSVAIEVRGADGKLSRVEHKVYQSIYGPLVVWPGKLDWNRSEAYALRDANLENTRVLQQWYSINQASDVADLRRRVEALQGIPWVNTLAADEQGNALYMNQSVVPYLKPELIPACAIPQLVAEGLPALQGQDSRCAWSRDPAAAQAGITPAAQLPVLLRRDFVQNSNDSAWLTNPASPLQGFSPLVSQEKPIGPRARYALSRLQGKQPLEAKTLEEMVTANHVFSADQVLPDLLRLCRDNQGEKSLARACAALAQWDRGANLDSGSGFVYFQRFMQRFAELDGAWKEPFDAQRPLDTPQGIALDRPQVATQVRQALADAAAEVEKSGIPDGARWGDLQVSTRGQERIAIPGGDGHFGVYNAIQSVRKGDHLEVVGGTSYIQLVTFPEEGPKARGLLAFSQSSDPRSPHYRDQTELFSRQQWQTLPFSDRQIDADPQLQRLSIRE
  
Inhibitor
Name:
BDBM113772
Synonyms:
2-(4-Fluorophenyl)-2-(6-(trifluoromethyl)pyridin-2-yl) acetonitrile (4)
Type:
Small organic molecule
Emp. Form.:
C14H8F4N2
Mol. Mass.:
280.2203
SMILES:
Fc1ccc(cc1)C(C#N)c1cccc(n1)C(F)(F)F
Structure:
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