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Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM529776
Substrate
n/a
Meas. Tech.
TBHPK1 IC50 Assay
IC50
0.050±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 
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:
BDBM529776
Synonyms:
US11203591, Example 183
Type:
Small organic molecule
Emp. Form.:
C37H43N7O2
Mol. Mass.:
617.783
SMILES:
Cc1ccc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)cc1C(N)=O |(11.59,-2.55,;11.59,-1.01,;10.26,-.24,;10.26,1.3,;11.59,2.07,;11.59,3.61,;10.26,4.38,;8.93,3.61,;7.59,4.38,;7.59,5.92,;8.93,6.69,;9.25,8.2,;10.78,8.36,;11.4,6.95,;12.91,6.63,;14.37,7.11,;14.05,5.6,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;1.34,9.12,;2.35,6.93,;-.19,8.62,;-1.65,8.11,;-2.82,9.11,;-2.54,10.63,;-1.08,11.14,;.09,10.14,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,)|
Structure:
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