Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525492
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
397±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:
BDBM525492
Synonyms:
US11174245, # I-145
Type:
Small organic molecule
Emp. Form.:
C29H32N8O3
Mol. Mass.:
540.6162
SMILES:
Cn1cc(cn1)-c1cc(cc(n1)C#N)C(=O)\N=c1/[nH]c2cc(CN3CCOCC3)ccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:33.37,36.41,(8.41,-4.31,;8.41,-2.77,;7.17,-1.87,;7.64,-.4,;9.18,-.4,;9.66,-1.87,;6.87,.93,;5.33,.93,;4.56,2.26,;5.33,3.6,;6.87,3.6,;7.64,2.26,;7.64,4.93,;8.41,6.27,;3.02,2.26,;2.25,3.6,;2.25,.93,;.71,.93,;-.19,2.18,;-1.66,1.7,;-2.99,2.47,;-4.32,1.7,;-5.66,2.47,;-6.99,1.7,;-8.33,2.47,;-9.66,1.7,;-9.66,.16,;-8.33,-.61,;-6.99,.16,;-4.32,.16,;-2.99,-.61,;-1.66,.16,;-.19,-.32,;.21,-1.8,;-.88,-2.89,;-.48,-4.38,;1,-4.78,;1.4,-6.27,;2.09,-3.69,;1.69,-2.2,)|
Structure:
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