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Target
Phospholipase D1
Ligand
BDBM154517
Substrate
n/a
Meas. Tech.
ChEMBL_2165923 (CHEMBL5050784)
IC50
49±n/a nM
Citation
 May-Dracka, TL; Gao, F; Hopkins, BT; Hronowski, X; Chen, T; Chodaparambil, JV; Metrick, CM; Cullivan, M; Enyedy, I; Kaliszczak, M; Kankel, MW; Marx, I; Michell-Robinson, MA; Murugan, P; Kumar, PR; Rooney, M; Schuman, E; Sen, A; Wang, T; Ye, T; Peterson, EA Discovery of Phospholipase D Inhibitors with Improved Drug-like Properties and Central Nervous System Penetrance. ACS Med Chem Lett 13:665-673 (2022) [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:
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:
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