Reaction Details |
| Report a problem with these data |
Target | Dual specificity mitogen-activated protein kinase kinase 4 |
---|
Ligand | BDBM15244 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_586988 (CHEMBL1062778) |
---|
Kd | >10000±n/a nM |
---|
Citation | Karaman, MW; Herrgard, S; Treiber, DK; Gallant, P; Atteridge, CE; Campbell, BT; Chan, KW; Ciceri, P; Davis, MI; Edeen, PT; Faraoni, R; Floyd, M; Hunt, JP; Lockhart, DJ; Milanov, ZV; Morrison, MJ; Pallares, G; Patel, HK; Pritchard, S; Wodicka, LM; Zarrinkar, PP A quantitative analysis of kinase inhibitor selectivity. Nat Biotechnol26:127-32 (2008) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Dual specificity mitogen-activated protein kinase kinase 4 |
---|
Name: | Dual specificity mitogen-activated protein kinase kinase 4 |
Synonyms: | JNK-activating kinase 1 | JNKK | JNKK1 | MAP kinase kinase 4 | MAP2K4 | MEK4 | MKK4 | MP2K4_HUMAN | PRKMK4 | SAPK/ERK kinase 1 | SEK1 | SERK1 | SKK1 | c-Jun N-terminal kinase kinase 1 |
Type: | PROTEIN |
Mol. Mass.: | 44294.29 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1460558 |
Residue: | 399 |
Sequence: | MAAPSPSGGGGSGGGSGSGTPGPVGSPAPGHPAVSSMQGKRKALKLNFANPPFKSTARFT
LNPNPTGVQNPHIERLRTHSIESSGKLKISPEQHWDFTAEDLKDLGEIGRGAYGSVNKMV
HKPSGQIMAVKRIRSTVDEKEQKQLLMDLDVVMRSSDCPYIVQFYGALFREGDCWICMEL
MSTSFDKFYKYVYSVLDDVIPEEILGKITLATVKALNHLKENLKIIHRDIKPSNILLDRS
GNIKLCDFGISGQLVDSIAKTRDAGCRPYMAPERIDPSASRQGYDVRSDVWSLGITLYEL
ATGRFPYPKWNSVFDQLTQVVKGDPPQLSNSEEREFSPSFINFVNLCLTKDESKRPKYKE
LLKHPFILMYEERAVEVACYVCKILDQMPATPSSPMYVD
|
|
|
BDBM15244 |
---|
n/a |
---|
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 |
|