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TargetInhibitor of nuclear factor kappa-B kinase subunit beta
LigandBDBM50146936
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1553191
IC50 790±n/a nM
Citation Kim, DKim, YGSeo, JHShin, KJ Identification and characterization of potent, selective and metabolically stable IKK▀ inhibitor. Bioorg Med Chem Lett26:1120-3 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Inhibitor of nuclear factor kappa-B kinase subunit beta
Name:Inhibitor of NF-kappa-B kinase alpha/beta
Synonyms:I-kappa-B Kinase 2 (IKK-beta) | I-kappa-B kinase 2 | I-kappa-B-kinase beta | I-kappa-B-kinase beta (IKKB) | IKK-B | IKK-beta | IKK2 | IkBKB | Inhibitor of nuclear factor kappa B kinase beta subunit | NFKBIKB | Nuclear factor NF-kappa-B inhibitor kinase beta
Type:Serine/threonine-protein kinase
Mol. Mass.:86554.39
Organism:Homo sapiens (Human)
Description:GST-tagged IKK-2 was expressed in High Five cells and purified.
Residue:756
Sequence:
MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCL
EIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREG
AILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCT
SFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSE
VDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCF
KALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLA
LIPDKPATQCISDGKLNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRN
LAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLK
AKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMAL
QTDIVDLQRSPMGRKQGGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQS
FEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKI
ACSKVRGPVSGSPDSMNASRLSQPGQLMSQPSTASNSLPEPAKKSEELVAEAHNLCTLLE
NAIQDTVREQDQSFTALDWSWLQTEEEEHSCLEQAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50146936
NameBDBM50146936
Synonyms:CHEMBL3765499
TypeSmall organic molecule
Emp. Form.C30H30FN3O3S2
Mol. Mass.563.706
SMILESCN1CCN(CCCOc2ccc(cc2)N2C(=S)S\C(=C/c3ccc(Oc4ccc(F)cc4)cc3)C2=O)CC1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a