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Target
Diacylglycerol kinase alpha
Ligand
BDBM50529933
Substrate
n/a
Meas. Tech.
ChEMBL_1910941 (CHEMBL4413387)
IC50
4281±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:
BDBM50529933
Synonyms:
CHEMBL1494303
Type:
Small organic molecule
Emp. Form.:
C21H23N3O3
Mol. Mass.:
365.4256
SMILES:
Cc1[nH]c2cc(C)ccc2c1C(=O)CN1CCN(CC1)C(=O)c1ccco1
Structure:
Search PDB for entries with ligand similarity: