Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525547
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
162±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:
BDBM525547
Synonyms:
US11174245, # I-225
Type:
Small organic molecule
Emp. Form.:
C30H37N7O2
Mol. Mass.:
527.6605
SMILES:
CN1CCC(CC1)c1ccc2[nH]\c(=N/C(=O)c3cc(C)nc(c3)-c3cnn(C)c3)n([C@@H]3CC[C@H](O)CC3)c2c1 |r,wU:30.32,33.36,(-9.66,-2.25,;-8.33,-1.48,;-8.33,.06,;-6.99,.83,;-5.66,.06,;-5.66,-1.48,;-6.99,-2.25,;-4.32,.83,;-4.32,2.37,;-2.99,3.14,;-1.66,2.37,;-.19,2.84,;.71,1.6,;2.25,1.6,;3.02,2.93,;2.25,4.26,;4.56,2.93,;5.33,4.26,;6.87,4.26,;7.64,5.6,;7.64,2.93,;6.87,1.6,;5.33,1.6,;7.64,.26,;9.18,.26,;9.66,-1.2,;8.41,-2.11,;8.41,-3.65,;7.17,-1.2,;-.19,.35,;.21,-1.14,;-.88,-2.22,;-.48,-3.71,;1,-4.11,;1.4,-5.6,;2.09,-3.02,;1.69,-1.53,;-1.66,.83,;-2.99,.06,)|
Structure:
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