Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase 14
Ligand
BDBM31632
Substrate
biotinylated GST-ATF2
Meas. Tech.
P38alpha Kinase Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
14±1.04 nM
Citation
 Lumeras, W; Caturla, F; Vidal, L; Esteve, C; Balagué, C; Orellana, A; Domínguez, M; Roca, R; Huerta, JM; Godessart, N; Vidal, B Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase. J Med Chem 52:5531-45 (2009) [PubMed]  Article 
Target
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:
BDBM31632
Synonyms:
Aminopyridine N-oxide, 58
Type:
Small organic molecule
Emp. Form.:
C25H25F2N3O4
Mol. Mass.:
469.4805
SMILES:
Cc1cc(OCCN2CCOCC2)ccc1-c1c(N)c(cc[n+]1[O-])C(=O)c1ccc(F)cc1F |(-1.58,1.92,;-.25,2.69,;1.08,1.92,;2.42,2.69,;3.75,1.92,;5.09,2.69,;6.42,1.92,;7.75,2.69,;7.8,4.23,;9.16,4.96,;10.47,4.15,;10.42,2.61,;9.06,1.88,;2.42,4.23,;1.08,5.01,;-.25,4.23,;-1.58,5,;-1.58,6.55,;-.25,7.32,;-2.92,7.32,;-4.25,6.55,;-4.25,5,;-2.92,4.23,;-2.92,2.69,;-2.92,8.86,;-1.58,9.63,;-4.25,9.63,;-5.59,8.87,;-6.92,9.66,;-6.9,11.2,;-8.22,11.99,;-5.55,11.95,;-4.23,11.16,;-2.89,11.92,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
biotinylated GST-ATF2
Synonyms:
ATF-2-GST | ATF2 | Activating transcription factor 2 | Activating transcription factor 2-GST fusion | GST-ATF2 | biotinylated ATF2 substrate | biotinylated activating transcription factor 2
Type:
Other Protein Type
Mol. Mass.:
12237.77
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
109
Sequence:
MSDDKPFLCTAPGCGQRFTNEDHLAVHKHKHEMTLKFGPARNDSVIVADQTPTPTRFLKNCEEVGLFNELASPFENEFKKASEDDIKKMPLDLSPLATPIIRSKIEEPS