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Target
Mitogen-activated protein kinase kinase kinase 12
Ligand
BDBM50609700
Substrate
n/a
Meas. Tech.
ChEMBL_2279204
IC50
4.0±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:
BDBM50609700
Synonyms:
CHEMBL5271972
Type:
Small organic molecule
Emp. Form.:
C19H21F2N7O2
Mol. Mass.:
417.4125
SMILES:
[H][C@]12CN(c3cc(nc(n3)N3CC4CC3C4)-c3cnc(N)c(OC(F)F)n3)[C@]([H])(CO1)C2 |r,wU:1.0,27.31,(-4.83,-1.9,;-5.33,-3.46,;-4,-2.69,;-2.66,-3.46,;-1.33,-2.69,;-1.33,-1.16,;0,-.38,;1.33,-1.15,;1.33,-2.69,;0,-3.46,;2.67,-3.46,;4.07,-2.83,;5.11,-3.98,;3.6,-3.66,;2.83,-4.99,;4.34,-5.31,;0,1.16,;-1.33,1.92,;-1.33,3.47,;-0,4.23,;-0,5.78,;1.33,3.47,;2.66,4.24,;4,3.47,;5.33,4.24,;4,1.93,;1.33,1.93,;-2.66,-5,;-1.12,-4.89,;-4,-5.78,;-5.33,-5,;-4.24,-4.55,)|
Structure:
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