Reaction Details
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Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529845
Substrate
n/a
Meas. Tech.
TBHPK1 IC50 Assay
IC50
0.040±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:
BDBM529845
Synonyms:
US11203591, Example 251
Type:
Small organic molecule
Emp. Form.:
C38H43ClF2N8O2
Mol. Mass.:
717.25
SMILES:
CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2cnc3c(c2)N(C(=O)C3(C)C)C2(CC(C)C2)N2CCC3CC3C2)c(F)c(F)c1Cl |(11.87,6.69,;10.53,5.92,;9.2,6.69,;7.87,5.92,;7.87,4.38,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,;5.82,-3.66,;6.97,-4.69,;5.94,-5.83,;6.02,-7.37,;4.79,-4.8,;4.68,-2.63,;5,-1.12,;3.85,-.09,;2.39,-.57,;.92,-1.04,;2.07,-2.07,;3.21,-3.1,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)|
Structure:
