Reaction Details
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Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529749
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:
BDBM529749
Synonyms:
US11203591, Example 156
Type:
Small organic molecule
Emp. Form.:
C45H52N8O3
Mol. Mass.:
752.9462
SMILES:
CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C23CC(C2)C3)ccc1C |r,wU:27.30,29.35,(2.88,-8.79,;1.55,-9.56,;.21,-8.79,;-1.12,-9.56,;.21,-7.25,;1.55,-6.48,;1.55,-4.94,;2.88,-4.17,;2.88,-2.63,;1.55,-1.86,;1.55,-.32,;2.88,.45,;4.21,-.32,;5.68,.16,;6.58,-1.09,;5.68,-2.33,;6.08,-3.82,;5.68,-5.31,;7.17,-4.91,;4.21,-1.86,;.21,.45,;.21,1.99,;-1.12,2.76,;-2.45,1.99,;-2.45,.45,;-1.12,-.32,;-3.92,-.02,;-4.32,-1.51,;-3.55,-2.85,;-4.88,-3.62,;-5.65,-2.28,;-5.28,-5.1,;-6.77,-5.5,;-7.17,-6.99,;-6.08,-8.08,;-4.59,-7.68,;-4.19,-6.19,;-4.82,1.22,;-6.36,1.22,;-3.92,2.47,;-2.83,3.56,;-3.23,5.04,;-4.72,5.44,;-5.81,4.35,;-5.41,2.87,;-5.11,6.93,;-6.6,7.33,;-4.03,8.02,;-2.49,8.02,;-2.49,9.56,;-4.03,9.56,;-3.48,8.96,;.21,-4.17,;-1.12,-4.94,;-1.12,-6.48,;-2.45,-7.25,)|
Structure:
