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Target
Mitogen-activated protein kinase kinase kinase 9
Ligand
BDBM50059190
Substrate
n/a
Meas. Tech.
ChEMBL_1460563 (CHEMBL3395595)
IC50
68±n/a nM
Citation
 Patel, S; Cohen, F; Dean, BJ; De La Torre, K; Deshmukh, G; Estrada, AA; Ghosh, AS; Gibbons, P; Gustafson, A; Huestis, MP; Le Pichon, CE; Lin, H; Liu, W; Liu, X; Liu, Y; Ly, CQ; Lyssikatos, JP; Ma, C; Scearce-Levie, K; Shin, YG; Solanoy, H; Stark, KL; Wang, J; Wang, B; Zhao, X; Lewcock, JW; Siu, M Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. J Med Chem 58:401-18 (2015) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase kinase kinase 9
Synonyms:
M3K9_HUMAN | MAP3K9 | MLK1 | Mitogen-activated protein kinase kinase kinase 9 | Mitogen-activated protein kinase kinase kinase 9 (MLK1) | Mixed Lineage Kinase 1 (MLK1) | PRKE1
Type:
protein
Mol. Mass.:
121881.51
Organism:
Homo sapiens (Human)
Description:
P80192
Residue:
1104
Sequence:
MEPSRALLGCLASAAAAAPPGEDGAGAGAEEEEEEEEEAAAAVGPGELGCDAPLPYWTAVFEYEAAGEDELTLRLGDVVEVLSKDSQVSGDEGWWTGQLNQRVGIFPSNYVTPRSAFSSRCQPGGEDPSCYPPIQLLEIDFAELTLEEIIGIGGFGKVYRAFWIGDEVAVKAARHDPDEDISQTIENVRQEAKLFAMLKHPNIIALRGVCLKEPNLCLVMEFARGGPLNRVLSGKRIPPDILVNWAVQIARGMNYLHDEAIVPIIHRDLKSSNILILQKVENGDLSNKILKITDFGLAREWHRTTKMSAAGTYAWMAPEVIRASMFSKGSDVWSYGVLLWELLTGEVPFRGIDGLAVAYGVAMNKLALPIPSTCPEPFAKLMEDCWNPDPHSRPSFTNILDQLTTIEESGFFEMPKDSFHCLQDNWKHEIQEMFDQLRAKEKELRTWEEELTRAALQQKNQEELLRRREQELAEREIDILERELNIIIHQLCQEKPRVKKRKGKFRKSRLKLKDGNRISLPSDFQHKFTVQASPTMDKRKSLINSRSSPPASPTIIPRLRAIQLTPGESSKTWGRSSVVPKEEGEEEEKRAPKKKGRTWGPGTLGQKELASGDEGSPQRREKANGLSTPSESPHFHLGLKSLVDGYKQWSSSAPNLVKGPRSSPALPGFTSLMEMEDEDSEGPGSGESRLQHSPSQSYLCIPFPRGEDGDGPSSDGIHEEPTPVNSATSTPQLTPTNSLKRGGAHHRRCEVALLGCGAVLAATGLGFDLLEAGKCQLLPLEEPEPPAREEKKRREGLFQRSSRPRRSTSPPSRKLFKKEEPMLLLGDPSASLTLLSLSSISECNSTRSLLRSDSDEIVVYEMPVSPVEAPPLSPCTHNPLVNVRVERFKRDPNQSLTPTHVTLTTPSQPSSHRRTPSDGALKPETLLASRSPSSNGLSPSPGAGMLKTPSPSRDPGEFPRLPDPNVVFPPTPRRWNTQQDSTLERPKTLEFLPRPRPSANRQRLDPWWFVSPSHARSTSPANSSSTETPSNLDSCFASSSSTVEERPGLPALLPFQAGPLPPTERTLLDLDAEGQSQDSTVPLCRAELNTHRPAPYEIQQEFWS
  
Inhibitor
Name:
BDBM50059190
Synonyms:
CHEMBL3393333
Type:
Small organic molecule
Emp. Form.:
C23H26F2N6O
Mol. Mass.:
440.4889
SMILES:
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Structure:
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