Reaction Details |
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Target | Mitogen-activated protein kinase 11/12/13/14 |
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Ligand | BDBM15244 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_212761 (CHEMBL818994) |
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IC50 | 150±n/a nM |
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Citation | Colletti, SL; Frie, JL; Dixon, EC; Singh, SB; Choi, BK; Scapin, G; Fitzgerald, CE; Kumar, S; Nichols, EA; O'Keefe, SJ; O'Neill, EA; Porter, G; Samuel, K; Schmatz, DM; Schwartz, CD; Shoop, WL; Thompson, CM; Thompson, JE; Wang, R; Woods, A; Zaller, DM; Doherty, JB Hybrid-designed inhibitors of p38 MAP kinase utilizing N-arylpyridazinones. J Med Chem46:349-52 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Mitogen-activated protein kinase 11/12/13/14 |
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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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BDBM15244 |
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n/a |
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Name | BDBM15244 |
Synonyms: | 5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyrimido[1,6-b]pyridazin-6-one | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)sulfanyl]-6H-pyrimido[1,6-a]pyridazin-6-one | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-6-pyrimido[1,6-b]pyridazinone | 5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]pyrimido[1,6-b]pyridazin-6-one | 5-(2,6-dichlorophenyl)-9-(2,4-difluorophenyl)sulfanyl-1,3,10-triazabicyclo[4.4.0]deca-2,5,7,9-tetraen-4-one | 5-[2,6-bis(chloranyl)phenyl]-2-[2,4-bis(fluoranyl)phenyl]sulfanyl-pyrimido[1,6-b]pyridazin-6-one | VX-745 | VX745 | cid_3038525 |
Type | Small organic molecule |
Emp. Form. | C19H9Cl2F2N3OS |
Mol. Mass. | 436.262 |
SMILES | Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| |
Structure |
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