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Target
Phospholipase
Ligand
BDBM154519
Substrate
n/a
Meas. Tech.
Amplex Red Assay of PldA
pH
7.5±n/a
IC50
8.7e+3± 7e+2 nM
Comments
extracted
Citation
 Scott, SA; Spencer, CT; O'Reilly, MC; Brown, KA; Lavieri, RR; Cho, CH; Jung, DI; Larock, RC; Brown, HA; Lindsley, 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:
BDBM154519
Synonyms:
Desketoraloxifene (10)
Type:
Small organic molecule
Emp. Form.:
C27H27NO3S
Mol. Mass.:
445.573
SMILES:
Oc1ccc(cc1)-c1sc2cc(O)ccc2c1-c1ccc(OCCN2CCCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: