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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM598319
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:
BDBM598319
Synonyms:
1-(8-Amino-7-fluoro-6-(4-methyl-5,6,7,8-tetrahydro-1,5-naphthyridin-3-yl)isoquinolin-3-yl)-3-((2r,4r)-6- oxaspiro[3.4]octan-2-yl)urea | US11612606, Compound 740b
Type:
Small organic molecule
Emp. Form.:
C26H29FN6O2
Mol. Mass.:
476.5459
SMILES:
Cc1c2NCCCc2ncc1-c1cc2cc(NC(=O)N[C@H]3C[C@@]4(C3)CCOC4)ncc2c(N)c1F |r,wU:20.21,22.24,(1.96,-.42,;3.29,.35,;4.62,-.42,;4.62,-1.96,;5.96,-2.73,;7.29,-1.96,;7.29,-.42,;5.96,.35,;5.96,1.89,;4.62,2.66,;3.29,1.89,;1.96,2.66,;.62,1.89,;-.71,2.66,;-2.04,1.89,;-3.38,2.66,;-4.71,1.89,;-4.71,.35,;-3.38,-.42,;-6.05,-.42,;-6.05,-1.96,;-4.96,-3.05,;-6.05,-4.14,;-7.13,-3.05,;-7.29,-5.04,;-6.82,-6.51,;-5.28,-6.51,;-4.8,-5.04,;-3.38,4.2,;-2.04,4.97,;-.71,4.2,;.62,4.97,;.62,6.51,;1.96,4.2,;3.29,4.97,)|
Structure:
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