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Target
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]
Ligand
BDBM525544
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
0.600±n/a nM
Citation
 Boese, D; Dahmann, G; Engelhardt, H; Petronczki, M; Scharn, D Benzimidazole compounds and derivatives as EGFR inhibitors US Patent  US11174245 Publication Date 11/16/2021 
Target
Name:
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]
Synonyms:
EGFR | EGFR (aa 695-1022, L858R, T790M, C797S) | EGFR_HUMAN | ERBB | ERBB1 | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37397.86
Organism:
Homo sapiens (Human)
Description:
P00533[695-1022,T790M,C797S,L858R]
Residue:
328
Sequence:
SGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
  
Inhibitor
Name:
BDBM525544
Synonyms:
US11174245, # I-222
Type:
Small organic molecule
Emp. Form.:
C30H38N8O2
Mol. Mass.:
542.6751
SMILES:
CN1CCN(Cc2ccc3[nH]\c(=N/C(=O)c4cc(C)nc(c4)-c4cnn(C)c4)n([C@@H]4CC[C@H](O)CC4)c3c2)CC1 |r,wU:29.30,32.34,(-9.97,-5.04,;-8.43,-5.04,;-7.66,-3.71,;-6.12,-3.71,;-5.35,-5.04,;-3.81,-5.04,;-3.04,-3.71,;-3.81,-2.37,;-3.04,-1.04,;-1.5,-1.04,;-.47,.11,;.93,-.52,;2.27,.25,;2.27,1.79,;.93,2.56,;3.6,2.56,;3.6,4.1,;4.94,4.87,;4.94,6.41,;6.27,4.1,;6.27,2.56,;4.94,1.79,;7.6,1.79,;9.07,2.26,;9.97,1.02,;9.07,-.23,;9.84,-1.56,;7.6,.25,;.77,-2.05,;1.86,-3.14,;1.46,-4.63,;2.55,-5.72,;4.04,-5.32,;5.13,-6.41,;4.44,-3.83,;3.35,-2.74,;-.73,-2.37,;-1.5,-3.71,;-6.12,-6.37,;-7.66,-6.37,)|
Structure:
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