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Target
Mitogen-activated protein kinase 11/12/13/14
Ligand
BDBM50473629
Substrate
n/a
Meas. Tech.
ChEMBL_206345 (CHEMBL811494)
IC50
2.0±n/a nM
Citation
 McKenna, JM; Halley, F; Souness, JE; McLay, IM; Pickett, SD; Collis, AJ; Page, K; Ahmed, I An algorithm-directed two-component library synthesized via solid-phase methodology yielding potent and orally bioavailable p38 MAP kinase inhibitors. J Med Chem 45:2173-84 (2002) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 11/12/13/14
Synonyms:
MAP kinase p38
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1935922
Components:
This complex has 4 components.
Component 1
Name:
Mitogen-activated protein kinase 13
Synonyms:
MAP kinase p38 delta | MAPK13 | MK13_HUMAN | Mitogen-activated protein kinase 13 | Mitogen-activated protein kinase 13 (MAPK13) | Mitogen-activated protein kinase p38 | Mitogen-activated protein kinase p38 delta | PRKM13 | SAPK4 | Stress-activated protein kinase 4 | p38 delta/gamma
Type:
Enzyme
Mol. Mass.:
42097.16
Organism:
Homo sapiens (Human)
Description:
O15264
Residue:
365
Sequence:
MSLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGMEFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMTGYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSPIARKDSRRRSGMKL
  
Component 2
Name:
Mitogen-activated protein kinase 11
Synonyms:
MAP kinase p38 | MAPK11 | MK11_HUMAN | Mitogen-activated protein kinase 11 | Mitogen-activated protein kinase p38 beta | PRKM11 | SAPK2 | SAPK2B | Stress-activated protein kinase 2 | p38 MAP kinase alpha/beta | p38-2 | p38-beta | p38b
Type:
Enzyme Catalytic Domain
Mol. Mass.:
41351.73
Organism:
Homo sapiens (Human)
Description:
gi_20128774
Residue:
364
Sequence:
MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQSLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGSDYIDQLKRIMEVVGTPSPEVLAKISSEHARTYIQSLPPMPQKDLSSIFRGANPLAIDLLGRMLVLDSDQRVSAAEALAHAYFSQYHDPEDEPEAEPYDESVEAKERTLEEWKELTYQEVLSFKPPEPPKPPGSLEIEQ
  
Component 3
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
  
Component 4
Name:
Mitogen-activated protein kinase 12
Synonyms:
ERK6 | MAP kinase p38 gamma | MAPK12 | MK12_HUMAN | Mitogen-activated protein kinase 12 (MAPK12 p38 gamma) | Mitogen-activated protein kinase 12 (p38 gamma) | Mitogen-activated protein kinase 12 Gamma | Mitogen-activated protein kinase p38 gamma (p38 MAPKγ) | SAPK3 | p38 delta/gamma
Type:
Protein
Mol. Mass.:
41938.69
Organism:
Homo sapiens (Human)
Description:
P53778
Residue:
367
Sequence:
MSSPPPARSGFYRQEVTKTAWEVRAVYRDLQPVGSGAYGAVCSAVDGRTGAKVAIKKLYRPFQSELFAKRAYRELRLLKHMRHENVIGLLDVFTPDETLDDFTDFYLVMPFMGTDLGKLMKHEKLGEDRIQFLVYQMLKGLRYIHAAGIIHRDLKPGNLAVNEDCELKILDFGLARQADSEMTGYVVTRWYRAPEVILNWMRYTQTVDIWSVGCIMAEMITGKTLFKGSDHLDQLKEIMKVTGTPPAEFVQRLQSDEAKNYMKGLPELEKKDFASILTNASPLAVNLLEKMLVLDAEQRVTAGEALAHPYFESLHDTEDEPQVQKYDDSFDDVDRTLDEWKRVTYKEVLSFKPPRQLGARVSKETPL
  
Inhibitor
Name:
BDBM50473629
Synonyms:
CHEMBL70053 | RPR-238677
Type:
Small organic molecule
Emp. Form.:
C28H34FN7O3
Mol. Mass.:
535.6131
SMILES:
CN1CCN(CC1)C(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCC2CC2)n1)-c1ccc(F)cc1 |wU:13.17,9.10,wD:9.9,(22.52,-6.15,;20.98,-6.15,;20.21,-4.81,;18.66,-4.8,;17.9,-6.13,;18.65,-7.46,;20.19,-7.48,;16.36,-6.13,;15.59,-7.46,;15.6,-4.8,;16.36,-3.46,;14.84,-3.46,;13.3,-3.46,;12.54,-4.79,;13.3,-6.12,;14.83,-6.12,;11,-4.79,;10.07,-6.03,;8.62,-5.54,;8.63,-4,;10.1,-3.53,;7.3,-3.23,;7.3,-1.68,;5.96,-.91,;4.62,-1.68,;4.62,-3.23,;3.28,-4,;1.95,-3.23,;.62,-4,;-.16,-5.33,;-.93,-4,;5.96,-4,;7.37,-6.45,;5.96,-5.8,;4.72,-6.7,;4.87,-8.25,;3.53,-9,;6.29,-8.88,;7.53,-7.97,)|
Structure:
Search PDB for entries with ligand similarity: