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Target
Diacylglycerol kinase alpha
Ligand
BDBM50529938
Substrate
n/a
Meas. Tech.
ChEMBL_1910958 (CHEMBL4413404)
IC50
20000±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 | DGK-alpha | DGKA_RAT | Dagk | Dagk1 | Dgka | Diacylglycerol kinase alpha | Diglyceride kinase alpha
Type:
PROTEIN
Mol. Mass.:
82196.56
Organism:
Rattus norvegicus
Description:
ChEMBL_118987
Residue:
727
Sequence:
MAKDKGLISPEDFAQLQKYIDYSTKSVSDVLKVFEMNKYCQGDEIGYLGFEQFLKMYLEVEEVPHHLCWTLFWSFHSSQDLDEETESKANVICLSDVYCYFTLLEGGSPEDKLEFTFKLYDMDRNGILDSTEVEKIILQMMRVAEYLDWDVSELRPILQEMMKEMDRDGSGCVSLAEWVRAGATTVPLLVLLGIDMTMKDDGHHIWRPKRFSRPVYCNLCELSIGLGKQGLSCNLCKYIVHDHCAMKAQPCEVSTYAKSRKDIGVQPHVWVRGGCHSGRCDRCQKKIRTYHSLTGLHCVWCHLEIHDDCLQAVGPECDCGLLRDHILPPCSIYPRVLVSGQECKQKTTDVTSLCTPEAFRIEPVSNTHPLLVFINPKSGGKQGQSVLWKFQYILNPRQVFNLKDGPEPGLRFFKDVPQFRVLVCGGDGTVGWILETIDKANFPIVPPVAVLPLGTGNDLARCLRWGRGYEGENLRKILKDIEISKVVYLDRWLLEVIPQQNGEKSDPVPSQIINNYFSIGVDASIAHRFHLMREKYPEKFNSRMKNKLWYLEFATSESIFSTCKKLEESVTVEICGKLLDLSDLSLEGIAVLNIPSMHGGSNLWGDTKRPHGDTCGINQALGSVAKIITDPDILKTCVPDMSDKRLEVVGIEGVIEMGQIYTRLKSAGHRLAKCSEITFQTTKTLPMQVDGEPWMQAPCTIKITHKNQMPMLMGPAPSSSNFFGFWS
  
Inhibitor
Name:
BDBM50529938
Synonyms:
CHEMBL259388
Type:
Small organic molecule
Emp. Form.:
C27H26FN3OS
Mol. Mass.:
459.578
SMILES:
[#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccccc1)-c1ccc(F)cc1
Structure:
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