Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 14/MAP kinase-activated protein kinase 5
Ligand
BDBM606228
Substrate
n/a
Meas. Tech.
Biochemical Assay (1 uM)
IC50
7943±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/MAP kinase-activated protein kinase 5
Synonyms:
p38a/PRAK
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
MAP kinase-activated protein kinase 5
Synonyms:
MAP kinase-activated protein kinase 5 (PRAK) | MAPK-Activated Protein Kinase 5 (MK5) | MAPK-activated protein kinase 5 | MAPK5_HUMAN | MAPKAP kinase 5 | MAPKAPK5 | PRAK | p38-regulated/activated protein kinase | p38-regulated/activated protein kinase (PRAK)
Type:
Serine/threonine-protein kinase
Mol. Mass.:
54229.92
Organism:
Homo sapiens (Human)
Description:
Recombinant MAPKAPK5 was phosphorylated by incubation with active p38alpha before assays.
Residue:
473
Sequence:
MSEESDMDKAIKETSILEEYSINWTQKLGAGISGPVRVCVKKSTQERFALKILLDRPKARNEVRLHMMCATHPNIVQIIEVFANSVQFPHESSPRARLLIVMEMMEGGELFHRISQHRHFTEKQASQVTKQIALALRHCHLLNIAHRDLKPENLLFKDNSLDAPVKLCDFGFAKIDQGDLMTPQFTPYYVAPQVLEAQRRHQKEKSGIIPTSPTPYTYNKSCDLWSLGVIIYVMLCGYPPFYSKHHSRTIPKDMRRKIMTGSFEFPEEEWSQISEMAKDVVRKLLKVKPEERLTIEGVLDHPWLNSTEALDNVLPSAQLMMDKAVVAGIQQAHAEQLANMRIQDLKVSLKPLHSVNNPILRKRKLLGTKPKDSVYIHDHENGAEDSNVALEKLRDVIAQCILPQAGKGENEDEKLNEVMQEAWKYNRECKLLRDTLQSFSWNGRGFTDKVDRLKLAEIVKQVIEEQTTSHESQ
  
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:
BDBM606228
Synonyms:
US11685719, Example 12A | US11685719, Example 12B
Type:
Small organic molecule
Emp. Form.:
C27H23ClF2N4O4
Mol. Mass.:
540.946
SMILES:
Cc1cnc(cc1-n1c(C)cc(OCc2ncc(F)cc2F)c(Cl)c1=O)-n1cccc(c1=O)C1(O)CCC1 |(-.42,3.85,;.91,3.08,;2.25,3.85,;3.58,3.08,;3.58,1.54,;2.25,.77,;.91,1.54,;-.42,.77,;-.42,-.77,;.91,-1.54,;-1.76,-1.54,;-3.09,-.77,;-4.42,-1.54,;-5.76,-.77,;-7.09,-1.54,;-8.42,-.77,;-9.76,-1.54,;-9.76,-3.08,;-11.09,-3.85,;-8.42,-3.85,;-7.09,-3.08,;-5.76,-3.85,;-3.09,.77,;-4.42,1.54,;-1.76,1.54,;-1.76,3.08,;4.91,.77,;4.91,-.77,;6.25,-1.54,;7.58,-.77,;7.58,.77,;6.25,1.54,;6.25,3.08,;8.91,1.54,;8.91,3.08,;10,.45,;11.09,1.54,;10,2.63,)|
Structure:
Search PDB for entries with ligand similarity: