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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM509018
Substrate
n/a
Meas. Tech.
Enzymatic Activity Assay
IC50
0.040±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:
BDBM509018
Synonyms:
US11071730, Example 125
Type:
Small organic molecule
Emp. Form.:
C41H47FN8O3
Mol. Mass.:
718.8621
SMILES:
CC(C)n1cnc2cc(nc(Nc3ccncc3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CC3CCC(C3)C1)C(=O)C21CCN(CC1)C(=O)C1CCO1 |(10.16,-3.43,;8.64,-3.66,;8.07,-5.09,;7.68,-2.45,;8.1,-.97,;6.81,-.11,;5.61,-1.07,;4.09,-.81,;3.11,-2,;3.64,-3.44,;5.16,-3.7,;5.7,-5.14,;4.72,-6.33,;5.25,-7.77,;4.27,-8.96,;2.75,-8.7,;2.22,-7.26,;3.2,-6.07,;2.66,-4.63,;6.14,-2.51,;1.59,-1.74,;.61,-2.93,;-.91,-2.67,;-1.45,-1.23,;-.47,-.04,;1.05,-.3,;-1.29,1.26,;-.72,2.69,;-1.33,4.1,;.08,4.72,;.69,3.3,;.65,6.15,;-.26,7.39,;.37,8.8,;.53,7.27,;1.54,6.87,;2.8,7.71,;1.9,8.96,;2.18,6.31,;-2.78,.88,;-3.97,1.86,;-2.88,-.66,;-2.82,-2.2,;-4.12,-3.02,;-5.48,-2.31,;-5.54,-.77,;-4.24,.05,;-6.78,-3.13,;-6.72,-4.67,;-8.15,-2.42,;-9.65,-2.74,;-10.3,-1.17,;-8.77,-1.01,)|
Structure:
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