Reaction Details Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM455451
Substrate
n/a
Meas. Tech.
Kinase Binding Assay
Ki
<100±n/a nM
Citation
 Vechorkin, O; Atasoylu, O; Ye, HF; Liu, K; Zhang, K; Yao, W Cyanoindazole compounds and uses thereof US Patent  US10722495 Publication Date 7/28/2020 
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:
BDBM455451
Synonyms:
US10722495, Example 3
Type:
Small organic molecule
Emp. Form.:
C22H18F4N6
Mol. Mass.:
442.4121
SMILES:
CNCc1cc(C)c(c(F)c1)-c1cc2c(n[nH]c2cc1C#N)-c1cnn(CC(F)(F)F)c1 |(-.35,5.07,;-1.69,5.84,;-3.02,5.07,;-3.02,3.53,;-1.69,2.76,;-1.69,1.22,;-.35,.45,;-3.02,.45,;-4.36,1.22,;-5.69,.45,;-4.36,2.76,;-3.02,-1.09,;-1.69,-1.86,;-1.69,-3.4,;-.54,-4.43,;-1.17,-5.84,;-2.7,-5.68,;-3.02,-4.17,;-4.36,-3.4,;-4.4,-1.83,;-5.74,-1.06,;-7.07,-.29,;.94,-4.03,;2.19,-4.94,;3.44,-4.03,;2.96,-2.57,;3.86,-1.32,;3.24,.08,;2.61,1.49,;4.64,.71,;1.83,-.54,;1.42,-2.57,)|
Structure:
Search PDB for entries with ligand similarity: