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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM598191
Substrate
n/a
Meas. Tech.
TBD
Ki
<0.013±n/a nM
Citation
 Liang, J; Mendonca, RV; Siu, M; Tellis, J; Wang, W; Wei, B; Chan, B; Choo, EF; Drobnick, J; Gazzard, LJ; Heffron, T 8-aminoisoquinoline compounds and uses thereof US Patent  US11612606 Publication Date 3/28/2023
Target
Name:
Mitogen-activated protein kinase kinase kinase kinase 1
Synonyms:
HPK1 | M4K1_HUMAN | MAP4K1
Type:
PROTEIN
Mol. Mass.:
91316.07
Organism:
Homo sapiens (Human)
Description:
ChEMBL_586597
Residue:
833
Sequence:
MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPGKGPSIGDIEDEEPELPPAIPRRIRSTHRSSSLGIPDADCCRRHMEFRKLRGMETRPPANTARLQPPRDLRSSSPRKQLSESSDDDYDDVDIPTPAEDTPPPLPPKPKFRSPSDEGPGSMGDDGQLSPGVLVRCASGPPPNSPRPGPPPSTSSPHLTAHSEPSLWNPPSRELDKPPLLPPKKEKMKRKGCALLVKLFNGCPLRIHSTAAWTHPSTKDQHLLLGAEEGIFILNRNDQEATLEMLFPSRTTWVYSINNVLMSLSGKTPHLYSHSILGLLERKETRAGNPIAHISPHRLLARKNMVSTKIQDTKGCRACCVAEGASSGGPFLCGALETSVVLLQWYQPMNKFLLVRQVLFPLPTPLSVFALLTGPGSELPAVCIGVSPGRPGKSVLFHTVRFGALSCWLGEMSTEHRGPVQVTQVEEDMVMVLMDGSVKLVTPEGSPVRGLRTPEIPMTEAVEAVAMVGGQLQAFWKHGVQVWALGSDQLLQELRDPTLTFRLLGSPRLECSGTISPHCNLLLPGSSNSPASASRVAGITGL
  
Inhibitor
Name:
BDBM598191
Synonyms:
(1r,3s)-3-(Cyanomethyl)cyclobutyl(8- | US11612606, Compound 536a
Type:
Small organic molecule
Emp. Form.:
C24H23FN6O3
Mol. Mass.:
462.4762
SMILES:
Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@@H]3C[C@H](CC#N)C3)ncc2c(N)c1F |r,wD:20.21,22.24,(2.55,-1.22,;3.88,-.45,;5.21,-1.22,;5.21,-2.76,;6.55,-3.53,;7.88,-2.76,;7.88,-1.22,;6.55,-.45,;6.55,1.09,;5.21,1.86,;3.88,1.09,;2.55,1.86,;1.21,1.09,;-.12,1.86,;-1.46,1.09,;-2.79,1.86,;-4.12,1.09,;-5.46,1.86,;-5.46,3.4,;-6.79,1.09,;-6.79,-.45,;-5.7,-1.54,;-6.79,-2.63,;-6.79,-4.17,;-5.46,-4.94,;-4.12,-5.71,;-7.88,-1.54,;-2.79,3.4,;-1.46,4.17,;-.12,3.4,;1.21,4.17,;1.21,5.71,;2.55,3.4,;3.88,4.17,)|
Structure:
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