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Target
Diacylglycerol kinase alpha
Ligand
BDBM50529932
Substrate
n/a
Meas. Tech.
ChEMBL_1910957 (CHEMBL4413403)
Ki
3320±n/a nM
Citation
 Velnati, S; Ruffo, E; Massarotti, A; Talmon, M; Varma, KSS; Gesu, A; Fresu, LG; Snow, AL; Bertoni, A; Capello, D; Tron, GC; Graziani, A; Baldanzi, G Identification of a novel DGK? inhibitor for XLP-1 therapy by virtual screening. Eur J Med Chem 164:378-390 (2019) [PubMed]  Article 
Target
Name:
Diacylglycerol kinase alpha
Synonyms:
2.7.1.107 | 80 kDa diacylglycerol kinase | DAG kinase alpha | DAGK | DAGK1 | DGK-alpha | DGKA | DGKA_HUMAN | Diacylglycerol kinase alpha | Diglyceride kinase alpha
Type:
PROTEIN
Mol. Mass.:
82631.86
Organism:
Homo sapiens
Description:
ChEMBL_117392
Residue:
735
Sequence:
MAKERGLISPSDFAQLQKYMEYSTKKVSDVLKLFEDGEMAKYVQGDAIGYEGFQQFLKIYLEVDNVPRHLSLALFQSFETGHCLNETNVTKDVVCLNDVSCYFSLLEGGRPEDKLEFTFKLYDTDRNGILDSSEVDKIILQMMRVAEYLDWDVSELRPILQEMMKEIDYDGSGSVSQAEWVRAGATTVPLLVLLGLEMTLKDDGQHMWRPKRFPRPVYCNLCESSIGLGKQGLSCNLCKYTVHDQCAMKALPCEVSTYAKSRKDIGVQSHVWVRGGCESGRCDRCQKKIRIYHSLTGLHCVWCHLEIHDDCLQAVGHECDCGLLRDHILPPSSIYPSVLASGPDRKNSKTSQKTMDDLNLSTSEALRIDPVPNTHPLLVFVNPKSGGKQGQRVLWKFQYILNPRQVFNLLKDGPEIGLRLFKDVPDSRILVCGGDGTVGWILETIDKANLPVLPPVAVLPLGTGNDLARCLRWGGGYEGQNLAKILKDLEMSKVVHMDRWSVEVIPQQTEEKSDPVPFQIINNYFSIGVDASIAHRFHIMREKYPEKFNSRMKNKLWYFEFATSESIFSTCKKLEESLTVEICGKPLDLSNLSLEGIAVLNIPSMHGGSNLWGDTRRPHGDIYGINQALGATAKVITDPDILKTCVPDLSDKRLEVVGLEGAIEMGQIYTKLKNAGRRLAKCSEITFHTTKTLPMQIDGEPWMQTPCTIKITHKNQMPMLMGPPPRSTNFFGFLS
  
Inhibitor
Name:
BDBM50529932
Synonyms:
STEMPHONE
Type:
Small organic molecule
Emp. Form.:
C30H42O8
Mol. Mass.:
530.6497
SMILES:
C\C=C(/C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@H](CC[C@]4(C)[C@H]3[C@@H]2O)C(C)(C)O)C1=O |r,t:11,15|
Structure:
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