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Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525541
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
25.8±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]
Synonyms:
EGFR | EGFR (aa 695-1022) | EGFR_HUMAN | ERBB | ERBB1 | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37339.79
Organism:
Homo sapiens (Human)
Description:
P00533[695-1022]
Residue:
328
Sequence:
SGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
  
Inhibitor
Name:
BDBM525541
Synonyms:
US11174245, # I-219
Type:
Small organic molecule
Emp. Form.:
C30H35N7O3
Mol. Mass.:
541.644
SMILES:
CC(=O)N1CCC(CC1)c1ccc2n([C@@H]3CC[C@H](O)CC3)\c(=N\C(=O)c3ccnc(c3)-c3cnn(C)c3)[nH]c2c1 |r,wU:14.14,17.18,(-10.33,3.98,;-8.99,4.75,;-8.99,6.29,;-7.66,3.98,;-6.32,4.75,;-4.99,3.98,;-4.99,2.44,;-6.32,1.67,;-7.66,2.44,;-3.66,1.67,;-3.66,.13,;-2.32,-.64,;-.99,.13,;.47,-.34,;.87,-1.83,;-.22,-2.92,;.18,-4.41,;1.67,-4.81,;2.07,-6.29,;2.76,-3.72,;2.36,-2.23,;1.38,.9,;2.92,.9,;3.69,2.24,;2.92,3.57,;5.23,2.24,;6,3.57,;7.54,3.57,;8.31,2.24,;7.54,.9,;6,.9,;8.31,-.43,;9.85,-.43,;10.33,-1.9,;9.08,-2.8,;9.08,-4.34,;7.83,-1.9,;.47,2.15,;-.99,1.67,;-2.32,2.44,)|
Structure:
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