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Target
Mitogen-activated protein kinase 14
Ligand
BDBM50541796
Substrate
n/a
Meas. Tech.
ChEMBL_1985369 (CHEMBL4618775)
Kd
57800±n/a nM
Citation
 Nichols, C; Ng, J; Keshu, A; Kelly, G; Conte, MR; Marber, MS; Fraternali, F; De Nicola, GF Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1?-IL1R and p38?-TAB1 Complexes. J Med Chem 63:7559-7568 (2020) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 14
Synonyms:
Crk1 | Csbp1 | Csbp2 | MAP Kinase p38 alpha | MAP kinase p38 | MK14_MOUSE | Mapk14 | Mitogen-activated protein kinase 14 | Mitogen-activated protein kinase p38 alpha
Type:
Enzyme
Mol. Mass.:
41281.22
Organism:
Mus musculus (mouse)
Description:
The full-length open reading frame of murine p38 alpha was cloned and expressed in E. coli.. Soluble murine p38R was extracted from cell pellets and purified using ion-exchange chromatography.
Residue:
360
Sequence:
MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGHRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLAQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
  
Inhibitor
Name:
BDBM50541796
Synonyms:
CHEMBL4634169
Type:
Small organic molecule
Emp. Form.:
C26H35N5O6S
Mol. Mass.:
545.651
SMILES:
C[C@@]1(CN(CCO1)S(=O)(=O)c1ccc(nc1)N1C(=O)CCC1=O)C(=O)NCC1(N)C2CC3CC(C2)CC1C3 |r,wU:1.0,TLB:37:36:30.31.32:34,28:27:33.34.35:30.31.37,THB:37:31:34:27.35.36,28:27:30.31.32:34,26:27:30.31.32:34,32:31:27:33.34.35,32:33:27:30.31.37,(18.75,-13.96,;17.21,-13.96,;15.87,-13.18,;14.54,-13.96,;14.54,-15.5,;15.87,-16.27,;17.21,-15.5,;13.21,-13.18,;13.98,-11.85,;12.44,-11.85,;11.88,-13.96,;10.55,-13.19,;9.21,-13.95,;9.21,-15.5,;10.55,-16.27,;11.88,-15.5,;7.88,-16.27,;6.48,-15.65,;6.08,-14.16,;5.44,-16.79,;6.22,-18.12,;7.72,-17.8,;8.81,-18.89,;17.98,-12.63,;17.21,-11.29,;19.52,-12.63,;20.28,-11.29,;21.82,-11.29,;20.74,-10.21,;22.71,-10.02,;24.08,-10.53,;24.91,-11.71,;26.65,-11.33,;25.14,-10.82,;24.3,-9.53,;24.23,-12.15,;22.65,-12.58,;24.06,-12.95,)|
Structure:
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