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Target
Mitogen-activated protein kinase 11/12/13/14
Ligand
BDBM50473627
Substrate
n/a
Meas. Tech.
ChEMBL_206345 (CHEMBL811494)
IC50
3.5±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:
BDBM50473627
Synonyms:
CHEMBL308203 | RPR-239939
Type:
Small organic molecule
Emp. Form.:
C26H33FN6O4
Mol. Mass.:
512.5764
SMILES:
CCCNC(=O)[C@@]1(C)CO[C@@H](OC1)c1nc(c([nH]1)-c1ccnc(NCCCOC)n1)-c1ccc(F)cc1 |wU:10.13,6.6,wD:6.5,(26.03,-17.02,;25.26,-15.68,;23.72,-15.68,;22.96,-14.34,;21.42,-14.34,;20.64,-15.67,;20.66,-13.01,;21.42,-11.67,;19.89,-11.68,;18.37,-11.67,;17.6,-13,;18.37,-14.33,;19.89,-14.33,;16.06,-13,;15.14,-14.24,;13.68,-13.75,;13.68,-12.21,;15.15,-11.75,;12.35,-11.44,;12.35,-9.89,;11.02,-9.12,;9.69,-9.89,;9.69,-11.44,;8.35,-12.21,;7.02,-11.44,;5.68,-12.21,;4.35,-11.44,;3.02,-12.2,;1.69,-11.43,;11.02,-12.21,;12.44,-14.65,;12.59,-16.18,;11.35,-17.08,;9.94,-16.45,;8.6,-17.21,;9.79,-14.91,;11.04,-14.01,)|
Structure:
Search PDB for entries with ligand similarity: