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TargetInhibitor of nuclear factor kappa-B kinase subunit epsilon
LigandBDBM278039
Substrate/Competitorn/a
Meas. Tech.TBK1 and IKKE Biological Assays
pH7±n/a
IC50<1±n/a nM
Commentsextracted
Citation Du, ZGuerrero, JAKaplan, JAKnox, Jr., JELo, JRMitchell, SANaduthambi, DPhillips, BWVenkataramani, CWang, PWatkins, WJZhao, Z Tank-binding kinase inhibitor compounds US Patent US10040781 Publication Date 8/7/2018
More Info.:Get all data from this article,  Assay Method
 
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Name:Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Synonyms:I kappa-B kinase epsilon | I-kappa-B Kinase 3 (IKK-epsilon) | I-kappa-B kinase epsilon (IKK-E) | I-kappa-B kinase epsilon (IKKE) | IKBKE | IKK-E | IKK-epsilon | IKK-i | IKKE | IKKE_HUMAN | IKKI | Inducible I kappa-B kinase | KIAA0151 | von Hippel-Lindau disease tumor suppressor/Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Type:Serine/threonine-protein kinase
Mol. Mass.:80475.98
Organism:Homo sapiens (Human)
Description:Kinase inhibitory activity was determined using recombinant human IKK-epsilon expressed in baculovirus as a FLAG-tagged fusion protein.
Residue:716
Sequence:
MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLR
KLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVV
AGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYL
HPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTE
KPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFA
ETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCV
LEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLG
AGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSV
AGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSI
QQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKY
QASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKG
AQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV
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  Blast E-value cutoff:
BDBM278039
n/a
NameBDBM278039
Synonyms:2-(((S)-3,3-difluoro-1-(2-hydroxyacetyl)piperidin-4-yl)oxy)-5-(4-((4-((S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile | US10040781, Example 261 | US10253019, Example 261
TypeSmall organic molecule
Emp. Form.C31H34F2N8O4
Mol. Mass.620.6497
SMILESC[C@H]1CN(CCN1C1COC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C(=O)CO)c(c2)C#N)cc1 |r|
Structure
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