Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetIKK epsilon/TBK1
LigandBDBM13535
Substrate/Competitorn/a
Meas. Tech.ChEMBL_655415
Kd>10000±n/a nM
Citation Zarrinkar, PPGunawardane, RNCramer, MDGardner, MFBrigham, DBelli, BKaraman, MWPratz, KWPallares, GChao, QSprankle, KGPatel, HKLevis, MArmstrong, RCJames, JBhagwat, SS AC220 is a uniquely potent and selective inhibitor of FLT3 for the treatment of acute myeloid leukemia (AML). Blood114:2984-92 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
IKK epsilon/TBK1
Name:IKK epsilon/TBK1
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) | IKK-E | IKK-epsilon | IKK-i | IkBKE | Inducible I kappa-B kinase | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM13535
n/a
NameBDBM13535
Synonyms:4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide | 4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]-N-[4-(1-methylethoxy)phenyl]piperazine-1-carboxamide | 4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-N-(4-propan-2-yloxyphenyl)-1-piperazinecarboxamide | 4-{6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide | CHEMBL124660 | MLN-518 | MLN518 | N-(4-isopropoxyphenyl)-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide | cid_3038522
TypeSmall organic molecule
Emp. Form.C31H42N6O4
Mol. Mass.562.703
SMILESCOc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: