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Target
Phospholipase D1
Ligand
BDBM75442
Substrate
n/a
Meas. Tech.
In vitro Exogenous Substrate Assay
pH
7.5±n/a
IC50
4.7e+3± 2.2e+3 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 D1
Synonyms:
Choline phosphatase 1 | PLD 1 | PLD1 | PLD1_HUMAN | Phosphatidylcholine-hydrolyzing phospholipase D1 | Phospholipase D (PLD) | Phospholipase D1 | Phospholipase D1 (PLD1) | Phospholipase D2 (PLD2) | hPLD1
Type:
Protein
Mol. Mass.:
124219.92
Organism:
Homo sapiens (Human)
Description:
Q13393
Residue:
1074
Sequence:
MSLKNEPRVNTSALQKIAADMSNIIENLDTRELHFEGEEVDYDVSPSDPKIQEVYIPFSAIYNTQGFKEPNIQTYLSGCPIKAQVLEVERFTSTTRVPSINLYTIELTHGEFKWQVKRKFKHFQEFHRELLKYKAFIRIPIPTRRHTFRRQNVREEPREMPSLPRSSENMIREEQFLGRRKQLEDYLTKILKMPMYRNYHATTEFLDISQLSFIHDLGPKGIEGMIMKRSGGHRIPGLNCCGQGRACYRWSKRWLIVKDSFLLYMKPDSGAIAFVLLVDKEFKIKVGKKETETKYGIRIDNLSRTLILKCNSYRHARWWGGAIEEFIQKHGTNFLKDHRFGSYAAIQENALAKWYVNAKGYFEDVANAMEEANEEIFITDWWLSPEIFLKRPVVEGNRWRLDCILKRKAQQGVRIFIMLYKEVELALGINSEYTKRTLMRLHPNIKVMRHPDHVSSTVYLWAHHEKLVIIDQSVAFVGGIDLAYGRWDDNEHRLTDVGSVKRVTSGPSLGSLPPAAMESMESLRLKDKNEPVQNLPIQKSIDDVDSKLKGIGKPRKFSKFSLYKQLHRHHLHDADSISSIDSTSSYFNHYRSHHNLIHGLKPHFKLFHPSSESEQGLTRPHADTGSIRSLQTGVGELHGETRFWHGKDYCNFVFKDWVQLDKPFADFIDRYSTPRMPWHDIASAVHGKAARDVARHFIQRWNFTKIMKSKYRSLSYPFLLPKSQTTAHELRYQVPGSVHANVQLLRSAADWSAGIKYHEESIHAAYVHVIENSRHYIYIENQFFISCADDKVVFNKIGDAIAQRILKAHRENQKYRVYVVIPLLPGFEGDISTGGGNALQAIMHFNYRTMCRGENSILGQLKAELGNQWINYISFCGLRTHAELEGNLVTELIYVHSKLLIADDNTVIIGSANINDRSMLGKRDSEMAVIVQDTETVPSVMDGKEYQAGRFARGLRLQCFRVVLGYLDDPSEDIQDPVSDKFFKEVWVSTAARNATIYDKVFRCLPNDEVHNLIQLRDFINKPVLAKEDPIRAEEELKKIRGFLVQFPFYFLSEESLLPSVGTKEAIVPMEVWT
  
Inhibitor
Name:
BDBM75442
Synonyms:
2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethyl-ethanamine | 2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]-N,N-dimethylethanamine | 2-[4-[2-(3-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine | 22GW (17b) | MLS002473629 | SMR001397796 | cid_44202272
Type:
Small organic molecule
Emp. Form.:
C25H25NO2S
Mol. Mass.:
403.537
SMILES:
COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1
Structure:
Search PDB for entries with ligand similarity: