Target
Phospholipase
Ligand
BDBM154517
Substrate
n/a
Meas. Tech.
Exogenous PldA Assay
pH
7.5±n/a
IC50
>20000±0 nM
Comments
extracted
Citation
 Scott, SASpencer, CTO'Reilly, MCBrown, KALavieri, RRCho, CHJung, DILarock, RCBrown, HALindsley, CW Discovery of desketoraloxifene analogues as inhibitors of mammalian, Pseudomonas aeruginosa, and NAPE phospholipase D enzymes. ACS Chem Biol 10:421-32 (2015) [PubMed]  Article 
Target
Name:
Phospholipase
Synonyms:
Phospholipase D (PldA)
Type:
Protein
Mol. Mass.:
122309.70
Organism:
Pseudomonas aeruginosa (g-Proteobacteria)
Description:
A0A0C6EPQ5
Residue:
1099
Sequence:
MLQKKPYNGLHEKELNQINQQDGSPCVAISAPGCFIKGSNLFSEKRAGNRVRFFTTGRDYFSDLASALDSASSSIFITGWQVNYDVLLDGRRSLWQCLRQALERSPALKVYVMPWLSPSGSLGTYDFETMLAVFQLNAGLEGGARAFCTPAIQQSDMQGLGVAFSHHQKSVVIDNRIGYVGGIDLAYGRRDDNDFSLDASGRRGNDAYNPGLPHLGWMAEDEHVSSMGLMMATLFDLSRPLASLTLHAPTLRLSPFPHIAASDEPLLSIPLAPSRARALNGGAYLSDLFRSPMLPSLQWLGRAYNSSKEGLDEGFERLDALRRQMVASSIRAIANLIADNLDALPIEPELERRLRAWLEELRTAALNLPEALRIKSLLLINQWMSETELGQVLTLISGKGFEDIPQNLSGKAGELAGSLFWTLHRLLQARAGGHQQPYRYLDEAPQPLASPDNARLAADQPRMPWQDVHCRIEGPSVYDLARNFIDRWNGQQAYLAKTPALQDTALVRSALEAVMKWLNSLAAAAGLENYLDEKRNLRLELDPPTPCWINAPEQLPQEPEVRRGGMTVQVLRSAAARMLEQEQAGRLGAGVNLPLQVGVSTEGVQSNCKDAMLLAISGAQQFIYIENQFFQSEFGKEGEVFKDLPLSGPMASLRDVGSLRRDFVVRIRLEEALEQRDLWLLDWAEVEKIAQEPGTEARQFLKSMLAMWGVNAQGWLTHKLGEAQHGLLNEIGEALARRIERAIQREHPFHVYLVLPVHPEGALNVPNIMHQVHLTQQSLVFGEQSLVKRIQRQMALKALEGKSDPAQAREIIERKDARGRPVYEQQDWSRYLTLLNLRTWAVLGGRVVTEQIYVHSKLLIADDRVAILGSANINDRSLQGERDSELAVMVRDSEPLTVRLDGKNDAIVGKAIHQLRVNLWKKHFGLSQGPGGFVKPASELSAYLSIPAAQEAWEAIQTLAKENTRAYERTFNFIPQNISQTQLQLTPEPPKGFEDGFPASIWPTWAYRKPGELRAGGQLMEPMPYQEIFWRSSNLTSVKTFPPPNGVSGFITALPTSWTRGERNDSGLNLSILAHQDSRSLPTQVAMNGDSSAQGKHRT
  
Inhibitor
Name:
BDBM154517
Synonyms:
ML299 (5)
Type:
Small organic molecule
Emp. Form.:
C23H26BrFN4O2
Mol. Mass.:
489.381
SMILES:
C[C@@H](CN1CCC2(CC1)N(CNC2=O)c1cccc(F)c1)NC(=O)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: