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Target
Mitogen-activated protein kinase kinase kinase 9
Ligand
BDBM50312613
Substrate
n/a
Meas. Tech.
ChEMBL_615601 (CHEMBL1103326)
IC50
591±n/a nM
Citation
 Sutherlin, DP; Sampath, D; Berry, M; Castanedo, G; Chang, Z; Chuckowree, I; Dotson, J; Folkes, A; Friedman, L; Goldsmith, R; Heffron, T; Lee, L; Lesnick, J; Lewis, C; Mathieu, S; Nonomiya, J; Olivero, A; Pang, J; Prior, WW; Salphati, L; Sideris, S; Tian, Q; Tsui, V; Wan, NC; Wang, S; Wiesmann, C; Wong, S; Zhu, BY Discovery of (thienopyrimidin-2-yl)aminopyrimidines as potent, selective, and orally available pan-PI3-kinase and dual pan-PI3-kinase/mTOR inhibitors for the treatment of cancer. J Med Chem 53:1086-97 (2010) [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:
BDBM50312613
Synonyms:
2-(2-(2-Aminopyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)propan-2-ol | CHEMBL1084926
Type:
Small organic molecule
Emp. Form.:
C17H20N6O2S
Mol. Mass.:
372.445
SMILES:
CC(C)(O)c1cc2nc(nc(N3CCOCC3)c2s1)-c1cnc(N)nc1
Structure:
Search PDB for entries with ligand similarity: