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Target
Mitogen-activated protein kinase kinase kinase 9
Ligand
BDBM24955
Substrate
myelin basic protein
Meas. Tech.
Mixed-Lineage Kinase Assay
pH
7.2±n/a
Temperature
310.15±n/a K
Comments
52% inhibition @ 1 uM.
Citation
 Hudkins, RL; Diebold, JL; Tao, M; Josef, KA; Park, CH; Angeles, TS; Aimone, LD; Husten, J; Ator, MA; Meyer, SL; Holskin, BP; Durkin, JT; Fedorov, AA; Fedorov, EV; Almo, SC; Mathiasen, JR; Bozyczko-Coyne, D; Saporito, MS; Scott, RW; Mallamo, JP Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models. J Med Chem 51:5680-9 (2008) [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:
BDBM24955
Synonyms:
3-(2-hydroxyethyl)-20-(2-methoxyethoxy)-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1,4,6,8,10,15,17,19,21-nonaen-14-one | 5-oxo dihydronaphthylcarbazole analogue, 22
Type:
Small organic molecule
Emp. Form.:
C27H26N2O4
Mol. Mass.:
442.5063
SMILES:
COCCOc1ccc-2c(CCc3c-2c2C(=O)NCc2c2c4ccccc4n(CCO)c32)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
myelin basic protein
Synonyms:
MBP | MBP_HUMAN | Myelin A1 protein | Myelin membrane encephalitogenic protein | biotin-MBP protein | biotin-myelin basic protein
Type:
Other Protein Type
Mol. Mass.:
33133.33
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
304
Sequence:
MGNHAGKRELNAEKASTNSETNRGESEKKRNLGELSRTTSEDNEVFGEADANQNNGTSSQDTAVTDSKRTADPKNAWQDAHPADPGSRPHLIRLFSRDAPGREDNTFKDRPSESDELQTIQEDSAATSESLDVMASQKRPSQRHGSKYLATASTMDHARHGFLPRHRDTGILDSIGRFFGGDRGAPKRGSGKDSHHPARTAHYGSLPQKSHGRTQDENPVVHFFKNIVTPRTPPPSQGKGRGLSLSRFSWGAEGQRPGFGYGGRASDYKSAHKGFKGVDAQGTLSKIFKLGGRDSRSGSPMARR