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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM543540
Substrate
n/a
Meas. Tech.
Kinase Binding Assay
Ki
<100±n/a nM
Citation
 Hummel, J; Nguyen, M; Sokolsky, A; Vechorkin, O; Ye, Q; Yao, W Benzimidazole and indole compounds and uses thereof US Patent  US11299473 Publication Date 4/12/2022 
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:
BDBM543540
Synonyms:
US11299473, Example 6
Type:
Small organic molecule
Emp. Form.:
C30H26F4N8O
Mol. Mass.:
590.5741
SMILES:
CN([C@@H]1CCCNC1)c1c(NC(=O)c2ccnc(n2)-c2c(F)cccc2F)ccc2n(C)c(nc12)-c1c(F)cncc1F |r,wD:2.1,(-.83,.97,;.51,.2,;1.84,.97,;1.84,2.51,;3.17,3.28,;4.51,2.51,;4.51,.97,;3.17,.2,;.51,-1.34,;-.83,-2.11,;-2.16,-1.34,;-3.49,-2.11,;-3.49,-3.65,;-4.83,-1.34,;-6.16,-2.11,;-7.5,-1.34,;-7.5,.2,;-6.16,.97,;-4.83,.2,;-6.16,2.51,;-4.83,3.28,;-3.49,2.51,;-4.83,4.82,;-6.16,5.59,;-7.5,4.82,;-7.5,3.28,;-8.83,2.51,;-.83,-3.65,;.51,-4.42,;1.84,-3.65,;3.3,-4.13,;3.78,-5.59,;4.21,-2.88,;3.3,-1.63,;1.84,-2.11,;5.75,-2.88,;6.52,-1.55,;5.75,-.21,;8.06,-1.55,;8.83,-2.88,;8.06,-4.21,;6.52,-4.21,;5.75,-5.55,)|
Structure:
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