Target
Mitogen-activated protein kinase 14/1
Ligand
BDBM606233
Substrate
n/a
Meas. Tech.
Biochemical Assay (10 uM)
IC50
1.26±n/a nM
Citation
 Hoffman, RLTrzoss, LDong, QKaldor, 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:
BDBM606233
Synonyms:
US11685719, Example 14B | US11685719, Example 14D
Type:
Small organic molecule
Emp. Form.:
C28H25ClF2N4O4
Mol. Mass.:
554.972
SMILES:
Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1cccc(c1=O)[C@@](C)(O)C1CC1 |r,wU:33.38,wD:33.37,(-.77,3.85,;.56,3.08,;1.9,3.85,;3.23,3.08,;3.23,1.54,;1.9,.77,;.56,1.54,;-.77,.77,;-.77,-.77,;.56,-1.54,;-2.1,-1.54,;-3.44,-.77,;-4.77,-1.54,;-6.1,-.77,;-7.44,-1.54,;-8.77,-.77,;-10.11,-1.54,;-10.11,-3.08,;-11.44,-3.85,;-8.77,-3.85,;-7.44,-3.08,;-6.1,-3.85,;-3.44,.77,;-4.77,1.54,;-2.1,1.54,;-2.1,3.08,;4.56,.77,;4.56,-.77,;5.9,-1.54,;7.23,-.77,;7.23,.77,;5.9,1.54,;5.9,3.08,;8.57,1.54,;7.8,2.87,;9.34,2.87,;9.9,.77,;10.67,-.56,;11.44,.77,)|
Structure:
Search PDB for entries with ligand similarity: