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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM598215
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:
BDBM598215
Synonyms:
(1r,3r)-3-(2-Cyanopropan-2- yl)cyclobutyl(8-amino-7-fluoro-6-(8- methyl-2,3-dihydro-1H-pyrido[2,3- b][1,4]oxazin-7-yl)isoquinolin-3- yl)carbamate | US11612606, Compound 549b
Type:
Small organic molecule
Emp. Form.:
C26H27FN6O3
Mol. Mass.:
490.5294
SMILES:
Cc1c2NCCOc2ncc1-c1cc2cc(NC(=O)O[C@H]3C[C@@H](C3)C(C)(C)C#N)ncc2c(N)c1F |r,wU:20.21,wD:22.26,(2.67,-1.22,;4,-.45,;5.33,-1.22,;5.33,-2.76,;6.67,-3.53,;8,-2.76,;8,-1.22,;6.67,-.45,;6.67,1.09,;5.33,1.86,;4,1.09,;2.67,1.86,;1.33,1.09,;,1.86,;-1.33,1.09,;-2.67,1.86,;-4,1.09,;-5.33,1.86,;-5.33,3.4,;-6.67,1.09,;-6.67,-.45,;-5.58,-1.54,;-6.67,-2.63,;-7.76,-1.54,;-6.67,-4.17,;-8,-4.94,;-5.33,-3.4,;-5.33,-4.94,;-4,-5.71,;-2.67,3.4,;-1.33,4.17,;,3.4,;1.33,4.17,;1.33,5.71,;2.67,3.4,;4,4.17,)|
Structure:
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