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TargetMitogen-activated protein kinase 11/12/13/14
LigandBDBM50175196
Substrate/Competitorn/a
Meas. Tech.ChEMBL_328640 (CHEMBL863889)
IC50>25000±n/a nM
Citation Burchat, A; Borhani, DW; Calderwood, DJ; Hirst, GC; Li, B; Stachlewitz, RF Discovery of A-770041, a src-family selective orally active lck inhibitor that prevents organ allograft rejection. Bioorg Med Chem Lett16:118-22 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Mitogen-activated protein kinase 11/12/13/14
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:
MSLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKVAIKKLSRPF
QSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFYDFYLVMPFMQTDLQKIMGM
EFSEEKIQYLVYQMLKGLKYIHSAGVVHRDLKPGNLAVNEDCELKILDFGLARHADAEMT
GYVVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAEMLTGKTLFKGKDYLDQLTQILKVTG
VPGTEFVQKLNDKAAKSYIQSLPQTPRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAA
QALTHPFFEPFRDPEEETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSPIARKDSRRR
SGMKL
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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:
MSGPRAGFYRQELNKTVWEVPQRLQGLRPVGSGAYGSVCSAYDARLRQKVAVKKLSRPFQ
SLIHARRTYRELRLLKHLKHENVIGLLDVFTPATSIEDFSEVYLVTTLMGADLNNIVKCQ
ALSDEHVQFLVYQLLRGLKYIHSAGIIHRDLKPSNVAVNEDCELRILDFGLARQADEEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLQGKALFPGSDYIDQLKRIMEVVG
TPSPEVLAKISSEHARTYIQSLPPMPQKDLSSIFRGANPLAIDLLGRMLVLDSDQRVSAA
EALAHAYFSQYHDPEDEPEAEPYDESVEAKERTLEEWKELTYQEVLSFKPPEPPKPPGSL
EIEQ
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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:
MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQ
SIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQ
KLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMT
GYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVG
TPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAA
QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
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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:
MSSPPPARSGFYRQEVTKTAWEVRAVYRDLQPVGSGAYGAVCSAVDGRTGAKVAIKKLYR
PFQSELFAKRAYRELRLLKHMRHENVIGLLDVFTPDETLDDFTDFYLVMPFMGTDLGKLM
KHEKLGEDRIQFLVYQMLKGLRYIHAAGIIHRDLKPGNLAVNEDCELKILDFGLARQADS
EMTGYVVTRWYRAPEVILNWMRYTQTVDIWSVGCIMAEMITGKTLFKGSDHLDQLKEIMK
VTGTPPAEFVQRLQSDEAKNYMKGLPELEKKDFASILTNASPLAVNLLEKMLVLDAEQRV
TAGEALAHPYFESLHDTEDEPQVQKYDDSFDDVDRTLDEWKRVTYKEVLSFKPPRQLGAR
VSKETPL
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BDBM50175196
n/a
NameBDBM50175196
Synonyms:A-770041 | CHEMBL197603 | N-(4-(1-(4-(4-acetylpiperazin-1-yl)cyclohexyl)-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide | N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE
TypeSmall organic molecule
Emp. Form.C34H39N9O3
Mol. Mass.621.732
SMILESCOc1cc(ccc1NC(=O)c1cc2ccccc2n1C)-c1nn([C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)c2ncnc(N)c12 |wU:24.26,wD:27.33,(12.01,-40.62,;10.65,-39.9,;9.34,-40.71,;7.98,-39.99,;6.69,-40.8,;6.72,-42.34,;8.08,-43.07,;9.39,-42.26,;10.75,-42.99,;10.8,-44.53,;9.49,-45.34,;12.15,-45.25,;13.55,-44.59,;14.61,-45.7,;16.14,-45.65,;16.95,-46.95,;16.22,-48.31,;14.69,-48.35,;13.88,-47.05,;12.37,-46.78,;11.26,-47.85,;5.33,-40.07,;3.93,-40.75,;2.86,-39.63,;1.34,-39.83,;.76,-41.26,;-.77,-41.46,;-1.71,-40.23,;-1.12,-38.81,;.4,-38.61,;-3.24,-40.44,;-4.16,-39.21,;-5.67,-39.41,;-6.27,-40.83,;-5.34,-42.05,;-3.81,-41.86,;-7.79,-41.02,;-8.73,-39.8,;-8.4,-42.44,;3.6,-38.26,;3.09,-36.8,;4.09,-35.63,;5.61,-35.92,;6.12,-37.37,;7.63,-37.64,;5.12,-38.54,)|
Structure
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