Reaction Details
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Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529665
Substrate
n/a
Meas. Tech.
TBHPK1 IC50 Assay
IC50
0.060±n/a nM
Citation
Balan, G; Bartlett, MJ; Chandrasekhar, J; Codelli, JA; Conway, JH; Cosman, JL; Kalla, RV; Kasun, ZA; Kim, M; Lee, SH; Lo, JR; Loyer-Drew, JA; Mitchell, SA; Perry, TD; Phillips, GB; Salvo, PJ; Swaminathan, S; Van Veldhuizen, JJ; Yeung, SC; Zablocki, J Substituted 6-azabenzimidazole compounds US Patent US11203591 Publication Date 12/21/2021 More Info.:
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:
BDBM529665
Synonyms:
US11203591, Example 77
Type:
Small organic molecule
Emp. Form.:
C44H53FN8O4
Mol. Mass.:
776.9412
SMILES:
CC(C)NC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N([C@@H]2C[C@@H](C2)N2C4CCC2COC4)C(=O)C32CCN(CC2)C(C)=O)c(F)cc1C |r,wU:29.31,31.36,(4.01,-8.79,;2.68,-8.02,;2.68,-6.48,;1.35,-8.79,;.01,-8.02,;-1.32,-8.79,;.01,-6.48,;1.35,-5.71,;1.35,-4.17,;2.68,-3.4,;2.68,-1.86,;1.35,-1.09,;1.35,.45,;2.68,1.22,;4.01,.45,;5.48,.93,;6.38,-.32,;5.48,-1.56,;5.88,-3.05,;4.79,-4.14,;7.37,-3.45,;4.01,-1.09,;.01,1.22,;.01,2.76,;-1.32,3.53,;-2.65,2.76,;-2.65,1.22,;-1.32,.45,;-4.12,.75,;-4.52,-.74,;-5.85,-1.51,;-5.08,-2.85,;-3.75,-2.08,;-5.48,-4.33,;-6.97,-4.73,;-6.57,-6.22,;-5.48,-6.51,;-4.39,-5.42,;-4.79,-6.91,;-6.28,-7.31,;-7.37,-6.22,;-5.02,1.99,;-6.56,1.99,;-4.12,3.24,;-3.03,4.33,;-3.43,5.81,;-4.92,6.21,;-6,5.12,;-5.61,3.64,;-5.31,7.7,;-4.23,8.79,;-6.8,8.1,;.01,-3.4,;.01,-1.86,;-1.32,-4.17,;-1.32,-5.71,;-2.65,-6.48,)|
Structure:
