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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM509058
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay
IC50
0.060±n/a nM
Citation
 Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent  US11071730 Publication Date 7/27/2021 
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:
BDBM509058
Synonyms:
US11071730, Example 165
Type:
Small organic molecule
Emp. Form.:
C41H48F2N8O3
Mol. Mass.:
738.8684
SMILES:
CC(C)n1cnc2cc(nc(Nc3cc(F)ncc3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CCC(C)(C)C1)C(=O)C21CCN(CC1)C(=O)C1(C)COC1 |(11.59,-4.02,;10.07,-4.24,;9.5,-5.67,;9.11,-3.04,;9.53,-1.55,;8.24,-.7,;7.04,-1.66,;5.52,-1.4,;4.54,-2.59,;5.07,-4.03,;6.59,-4.29,;7.13,-5.73,;6.14,-6.92,;4.63,-6.66,;3.64,-7.85,;2.13,-7.59,;4.18,-9.29,;5.7,-9.55,;6.68,-8.36,;8.2,-8.62,;7.57,-3.1,;3.02,-2.33,;2.03,-3.51,;.52,-3.26,;-.02,-1.81,;.96,-.63,;2.48,-.88,;.14,.67,;.71,2.11,;.09,3.52,;1.51,4.13,;2.12,2.72,;2.07,5.56,;3.58,5.88,;3.74,7.41,;2.34,8.04,;2.01,9.55,;3.53,9.01,;1.3,6.9,;-1.35,.29,;-2.54,1.27,;-1.45,-1.25,;-1.39,-2.78,;-2.69,-3.61,;-4.05,-2.9,;-4.12,-1.36,;-2.82,-.53,;-5.35,-3.72,;-5.29,-5.26,;-6.72,-3.01,;-5.65,-1.89,;-8.02,-3.83,;-8.95,-2.15,;-7.49,-1.67,)|
Structure:
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