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Target
Mitogen-activated protein kinase kinase kinase 12
Ligand
BDBM50609708
Substrate
n/a
Meas. Tech.
ChEMBL_2279204
IC50
3.0±n/a nM
Citation
 Craig, RA; Fox, BM; Hu, C; Lexa, KW; Osipov, M; Thottumkara, AP; Larhammar, M; Miyamoto, T; Rana, A; Kane, LA; Yulyaningsih, E; Solanoy, H; Nguyen, H; Chau, R; Earr, T; Kajiwara, Y; Fleck, D; Lucas, A; Haddick, PCG; Takahashi, RH; Tong, V; Wang, J; Canet, MJ; Poda, SB; Scearce-Levie, K; Srivastava, A; Sweeney, ZK; Xu, M; Zhang, R; He, J; Lei, Y; Zhuo, Z; de Vicente, J Discovery of Potent and Selective Dual Leucine Zipper Kinase/Leucine Zipper-Bearing Kinase Inhibitors with Neuroprotective Properties in In Vitro and In Vivo Models of Amyotrophic Lateral Sclerosis. J Med Chem 65:16290-16312 (2022) [PubMed] 
Target
Name:
Mitogen-activated protein kinase kinase kinase 12
Synonyms:
DLK | Dual leucine zipper bearing kinase | Leucine-zipper protein kinase | M3K12_HUMAN | MAP3K12 | MAPK-upstream kinase | MUK | Mitogen-activated protein kinase kinase kinase 12 | Mixed lineage kinase | ZPK
Type:
PROTEIN
Mol. Mass.:
93216.56
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1460553
Residue:
859
Sequence:
MACLHETRTPSPSFGGFVSTLSEASMRKLDPDTSDCTPEKDLTPTHVLQLHEQDAGGPGGAAGSPESRASRVRADEVRLQCQSGSGFLEGLFGCLRPVWTMIGKAYSTEHKQQQEDLWEVPFEEILDLQWVGSGAQGAVFLGRFHGEEVAVKKVRDLKETDIKHLRKLKHPNIITFKGVCTQAPCYCILMEFCAQGQLYEVLRAGRPVTPSLLVDWSMGIAGGMNYLHLHKIIHRDLKSPNMLITYDDVVKISDFGTSKELSDKSTKMSFAGTVAWMAPEVIRNEPVSEKVDIWSFGVVLWELLTGEIPYKDVDSSAIIWGVGSNSLHLPVPSSCPDGFKILLRQCWNSKPRNRPSFRQILLHLDIASADVLSTPQETYFKSQAEWREEVKLHFEKIKSEGTCLHRLEEELVMRRREELRHALDIREHYERKLERANNLYMELNALMLQLELKERELLRREQALERRCPGLLKPHPSRGLLHGNTMEKLIKKRNVPQKLSPHSKRPDILKTESLLPKLDAALSGVGLPGCPKGPPSPGRSRRGKTRHRKASAKGSCGDLPGLRTAVPPHEPGGPGSPGGLGGGPSAWEACPPALRGLHHDLLLRKMSSSSPDLLSAALGSRGRGATGGAGDPGSPPPARGDTPPSEGSAPGSTSPDSPGGAKGEPPPPVGPGEGVGLLGTGREGTSGRGGSRAGSQHLTPAALLYRAAVTRSQKRGISSEEEEGEVDSEVELTSSQRWPQSLNMRQSLSTFSSENPSDGEEGTASEPSPSGTPEVGSTNTDERPDERSDDMCSQGSEIPLDPPPSEVIPGPEPSSLPIPHQELLRERGPPNSEDSDCDSTELDNSNSVDALRPPASLPP
  
Inhibitor
Name:
BDBM50609708
Synonyms:
CHEMBL5281494
Type:
Small organic molecule
Emp. Form.:
C22H25F2N7O3
Mol. Mass.:
473.4758
SMILES:
[H][C@]12CN(c3cc(cc(n3)N3CC4CC3C4)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CN1C(=O)OC)C2 |r,wU:1.0,27.31,(-3.99,-.9,;-4,-2.31,;-2.66,-1.54,;-1.33,-2.31,;.01,-1.54,;-0,-0,;1.34,.77,;2.67,0,;2.67,-1.53,;1.33,-2.3,;4,-2.3,;5.41,-1.68,;6.44,-2.82,;5.67,-4.15,;4.16,-3.83,;5.01,-2.63,;1.34,2.31,;-0,3.07,;-0,4.62,;1.33,5.39,;1.33,6.93,;2.66,4.62,;4,5.39,;5.33,4.62,;6.66,5.39,;5.33,3.08,;2.66,3.08,;-1.33,-3.85,;.36,-3.86,;-2.66,-4.62,;-4,-3.85,;-5.33,-4.62,;-6.66,-3.85,;-5.33,-6.16,;-6.66,-6.93,;-2.91,-3.4,)|
Structure:
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