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Target
Mitogen-activated protein kinase 14
Ligand
BDBM586495
Substrate
n/a
Meas. Tech.
D3R2023
Kd
1.90±n/a nM
Citation
 D3R, DD Drug Design Data Resource Grand Challenge 3 Dataset: p38a D3R 1:0 (2020) [PubMed] 
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:
BDBM586495
Synonyms:
D3RKN_3
Type:
Small Organic Molecule
Emp. Form.:
C25H23BrF2N2O4
Mol. Mass.:
533.362
SMILES:
Cc1ccc(cc1-n1c(C)cc(OCc2ccc(F)cc2F)c(Br)c1=O)C(=O)N1CC[C@@H](O)C1 |wD:31.34,(1.13,6.82,;2.47,6.05,;3.8,6.82,;5.14,6.05,;5.14,4.51,;3.8,3.74,;2.47,4.51,;1.13,3.74,;1.13,2.2,;2.47,1.43,;-.2,1.43,;-1.53,2.2,;-2.87,1.43,;-4.2,2.2,;-5.53,1.43,;-6.87,2.2,;-8.2,1.43,;-8.2,-.11,;-9.53,-.88,;-6.87,-.88,;-5.53,-.11,;-4.2,-.88,;-1.53,3.74,;-2.87,4.51,;-.2,4.51,;-.2,6.05,;6.47,3.74,;7.8,4.51,;6.47,2.2,;5.22,1.29,;5.7,-.17,;7.24,-.17,;8.14,-1.42,;7.72,1.29,)|
Structure:
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