Target
Phospholipase
Ligand
BDBM75441
Substrate
n/a
Meas. Tech.
Exogenous PldA Assay
pH
7.5±n/a
IC50
1.76e+4± 2.1e+3 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:
BDBM75441
Synonyms:
1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine | 1-[2-[4-[2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine | 22GK (17c) | MLS002473628 | SMR001397795 | cid_44202271
Type:
Small organic molecule
Emp. Form.:
C27H27NO2S
Mol. Mass.:
429.574
SMILES:
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1
Structure:
Search PDB for entries with ligand similarity: