Reaction Details Report a problem with these data
Target
Phospholipase
Ligand
BDBM87119
Substrate
n/a
Meas. Tech.
Exogenous PldA Assay
pH
7.5±n/a
IC50
>20000±0 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:
BDBM87119
Synonyms:
(1R,2R)-N-[(1S)-2-[4-(5-bromo-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]-2-phenyl-cyclopropanecarboxamide;2,2,2-trifluoroacetic acid | (1R,2R)-N-[(2S)-1-[4-(5-bromanyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenyl-cyclopropane-1-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid | (1R,2R)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]propan-2-yl]-2-phenyl-1-cyclopropanecarboxamide;2,2,2-trifluoroacetic acid | (1R,2R)-N-[(2S)-1-[4-(5-bromo-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]-2-phenylcyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid | VU0359595 (2) | VU0359595-1 | cid_53470193
Type:
Small organic molecule
Emp. Form.:
C25H29BrN4O2
Mol. Mass.:
497.427
SMILES:
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@H]1c1ccccc1
Structure:
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