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TargetMitogen-activated protein kinase kinase kinase 9 (MLK1)
LigandBDBM50255012
Substrate/Competitorn/a
Meas. Tech.ChEMBL_558467
IC50 5000±n/a nM
Citation Tecle HShao JLi YKothe MKazmirski SPenzotti JDing YHOhren JMoshinsky DColi RJhawar NBora EJacques-O'Hagan SWu J Beyond the MEK-pocket: can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK? Bioorg Med Chem Lett 19:226-9 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Mitogen-activated protein kinase kinase kinase 9 (MLK1)
Name:Mitogen-activated protein kinase kinase kinase 9
Synonyms:Mitogen-activated protein kinase kinase kinase 9
Type:protein
Mol. Mass.:121881.51
Organism:Homo sapiens (Human)
Description:P80192
Residue:1104
Sequence:
MEPSRALLGCLASAAAAAPPGEDGAGAGAEEEEEEEEEAAAAVGPGELGCDAPLPYWTAV
FEYEAAGEDELTLRLGDVVEVLSKDSQVSGDEGWWTGQLNQRVGIFPSNYVTPRSAFSSR
CQPGGEDPSCYPPIQLLEIDFAELTLEEIIGIGGFGKVYRAFWIGDEVAVKAARHDPDED
ISQTIENVRQEAKLFAMLKHPNIIALRGVCLKEPNLCLVMEFARGGPLNRVLSGKRIPPD
ILVNWAVQIARGMNYLHDEAIVPIIHRDLKSSNILILQKVENGDLSNKILKITDFGLARE
WHRTTKMSAAGTYAWMAPEVIRASMFSKGSDVWSYGVLLWELLTGEVPFRGIDGLAVAYG
VAMNKLALPIPSTCPEPFAKLMEDCWNPDPHSRPSFTNILDQLTTIEESGFFEMPKDSFH
CLQDNWKHEIQEMFDQLRAKEKELRTWEEELTRAALQQKNQEELLRRREQELAEREIDIL
ERELNIIIHQLCQEKPRVKKRKGKFRKSRLKLKDGNRISLPSDFQHKFTVQASPTMDKRK
SLINSRSSPPASPTIIPRLRAIQLTPGESSKTWGRSSVVPKEEGEEEEKRAPKKKGRTWG
PGTLGQKELASGDEGSPQRREKANGLSTPSESPHFHLGLKSLVDGYKQWSSSAPNLVKGP
RSSPALPGFTSLMEMEDEDSEGPGSGESRLQHSPSQSYLCIPFPRGEDGDGPSSDGIHEE
PTPVNSATSTPQLTPTNSLKRGGAHHRRCEVALLGCGAVLAATGLGFDLLEAGKCQLLPL
EEPEPPAREEKKRREGLFQRSSRPRRSTSPPSRKLFKKEEPMLLLGDPSASLTLLSLSSI
SECNSTRSLLRSDSDEIVVYEMPVSPVEAPPLSPCTHNPLVNVRVERFKRDPNQSLTPTH
VTLTTPSQPSSHRRTPSDGALKPETLLASRSPSSNGLSPSPGAGMLKTPSPSRDPGEFPR
LPDPNVVFPPTPRRWNTQQDSTLERPKTLEFLPRPRPSANRQRLDPWWFVSPSHARSTSP
ANSSSTETPSNLDSCFASSSSTVEERPGLPALLPFQAGPLPPTERTLLDLDAEGQSQDST
VPLCRAELNTHRPAPYEIQQEFWS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50255012
n/a
NameBDBM50255012
Synonyms:5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzoic acid | CHEMBL465465
TypeSmall organic molecule
Emp. Form.C22H18F3IN2O4S
Mol. Mass.590.354
SMILESCS(=O)(=O)c1ccc(CNCc2cc(C(O)=O)c(Nc3ccc(I)cc3F)c(F)c2F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: