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Target
Mitogen-activated protein kinase 14/1
Ligand
BDBM606217
Substrate
n/a
Meas. Tech.
Biochemical Assay (10 uM)
IC50
20.0±n/a nM
Citation
 Hoffman, RL; Trzoss, L; Dong, Q; Kaldor, SW Pyridinone MK2 inhibitors and uses thereof US Patent  US11685719 Publication Date 6/27/2023 
Target
Name:
Mitogen-activated protein kinase 14/1
Synonyms:
p38a/MK2
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Mitogen-activated protein kinase 1
Synonyms:
ERK2 | ERT1 | Extracellular signal-regulated kinase 2 | Extracellular signal-regulated kinase 2 (ERK-2) | Extracellular signal-regulated kinase 2 (ERK2) | MAP Kinase 2/ERK2 | MAPK 2 | MAPK1 | MK01_HUMAN | Mitogen activated kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (ERK-2) | Mitogen-activated protein kinase 1 (ERK2) | Mitogen-activated protein kinase 2 | PRKM1 | PRKM2 | p42-MAPK
Type:
Ser/Thr Protein Kinase
Mol. Mass.:
41392.76
Organism:
Homo sapiens (Human)
Description:
P28482
Residue:
360
Sequence:
MAAAAAAGAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVADPDHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGYRS
  
Component 2
Name:
Mitogen-activated protein kinase 14
Synonyms:
CSAID-binding protein | CSBP | CSBP1 | CSBP2 | CSPB1 | Cytokine suppressive anti-inflammatory drug-binding protein | MAP kinase 14 | MAP kinase MXI2 | MAP kinase p38 alpha | MAPK 14 | MAPK14 | MAX-interacting protein 2 | MK14_HUMAN | MXI2 | Mitogen-activated protein kinase p38 alpha | SAPK2A | Stress-activated protein kinase 2a | p38 MAP kinase alpha/beta
Type:
Serine/threonine-protein kinase
Mol. Mass.:
41286.76
Organism:
Homo sapiens (Human)
Description:
Q16539
Residue:
360
Sequence:
MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
  
Inhibitor
Name:
BDBM606217
Synonyms:
US11685719, Example 6
Type:
Small organic molecule
Emp. Form.:
C28H26ClF2N5O5
Mol. Mass.:
585.986
SMILES:
CCOC(=O)C(C)(C)n1nc(ccc1=O)-c1cc(c(C)cn1)-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O |(12.67,1.54,;11.34,.77,;10,1.54,;8.67,.77,;8.67,-.77,;7.34,1.54,;8.11,2.87,;6.57,2.87,;6,.77,;4.67,1.54,;3.33,.77,;3.33,-.77,;4.67,-1.54,;6,-.77,;7.34,-1.54,;2,1.54,;.67,.77,;-.67,1.54,;-.67,3.08,;-2,3.85,;.67,3.85,;2,3.08,;-2,.77,;-2,-.77,;-.67,-1.54,;-3.33,-1.54,;-4.67,-.77,;-6,-1.54,;-7.34,-.77,;-8.67,-1.54,;-10,-.77,;-11.34,-1.54,;-11.34,-3.08,;-12.67,-3.85,;-10,-3.85,;-8.67,-3.08,;-7.34,-3.85,;-4.67,.77,;-6,1.54,;-3.33,1.54,;-3.33,3.08,)|
Structure:
Search PDB for entries with ligand similarity: