Reaction Details  Report a problem with these data
Target
Mitogen-activated protein kinase kinase kinase kinase 1
Ligand
BDBM414757
Substrate
n/a
Meas. Tech.
ChEMBL_2265884
Ki
4.6±n/a nM
Citation
 Ye, Q; Liu, K; Ye, HF; Pan, J; Sokolsky, A; Wang, A; Zhang, K; Hummel, JR; Kong, L; Behshad, E; He, X; Conlen, P; Stump, K; Ye, M; Diamond, S; Covington, M; Yeleswaram, S; Atasoylu, O; Vechorkin, O; Yao, W Discovery of Pyrazolopyridine Derivatives as HPK1 Inhibitors. ACS Med Chem Lett 14:5-10 (2023) [PubMed]
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:
BDBM414757
Synonyms:
US10435405, Example 174 | US10435405, Example 175 | US10934288, Example 175
Type:
Small organic molecule
Emp. Form.:
C22H23FN6
Mol. Mass.:
390.4566
SMILES:
Cc1cc(cc(F)c1-c1cc2c(n[nH]c2cn1)-c1cnn(C)c1)C1CCCCN1
Structure:
Search PDB for entries with ligand similarity: