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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM598250
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:
Human
Description:
ChEMBL_586597
Residue:
833
Sequence:
MDVVDPDIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNPGKGPSIGDIEDEEPELPPAIPRRIRSTHRSSSLGIPDADCCRRHMEFRKLRGMETRPPANTARLQPPRDLRSSSPRKQLSESSDDDYDDVDIPTPAEDTPPPLPPKPKFRSPSDEGPGSMGDDGQLSPGVLVRCASGPPPNSPRPGPPPSTSSPHLTAHSEPSLWNPPSRELDKPPLLPPKKEKMKRKGCALLVKLFNGCPLRIHSTAAWTHPSTKDQHLLLGAEEGIFILNRNDQEATLEMLFPSRTTWVYSINNVLMSLSGKTPHLYSHSILGLLERKETRAGNPIAHISPHRLLARKNMVSTKIQDTKGCRACCVAEGASSGGPFLCGALETSVVLLQWYQPMNKFLLVRQVLFPLPTPLSVFALLTGPGSELPAVCIGVSPGRPGKSVLFHTVRFGALSCWLGEMSTEHRGPVQVTQVEEDMVMVLMDGSVKLVTPEGSPVRGLRTPEIPMTEAVEAVAMVGGQLQAFWKHGVQVWALGSDQLLQELRDPTLTFRLLGSPRLECSGTISPHCNLLLPGSSNSPASASRVAGITGL
  
Inhibitor
Name:
BDBM598250
Synonyms:
(1s,3s)-3-(Methylsulfonyl)cyclobutyl(8- | US11612606, Compound 572a
Type:
Small organic molecule
Emp. Form.:
C23H24FN5O5S
Mol. Mass.:
501.531
SMILES:
Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@H](C3)S(C)(=O)=O)ncc2c(N)c1F |r,wU:20.21,22.26,(2.1,-.07,;3.44,.7,;4.77,-.07,;4.77,-1.61,;6.1,-2.38,;7.44,-1.61,;7.44,-.07,;6.1,.7,;6.1,2.24,;4.77,3.01,;3.44,2.24,;2.1,3.01,;.77,2.24,;-.56,3.01,;-1.9,2.24,;-3.23,3.01,;-4.56,2.24,;-4.56,.7,;-3.23,-.07,;-5.9,-.07,;-5.9,-1.61,;-4.81,-2.69,;-5.9,-3.78,;-6.99,-2.69,;-5.9,-5.32,;-5.9,-6.86,;-4.36,-5.32,;-7.44,-5.32,;-3.23,4.55,;-1.9,5.32,;-.56,4.55,;.77,5.32,;.77,6.86,;2.1,4.55,;3.44,5.32,)|
Structure:
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