Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525522
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
439±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:
BDBM525522
Synonyms:
US11174245, # I-200
Type:
Small organic molecule
Emp. Form.:
C25H24F2N6O3
Mol. Mass.:
494.4933
SMILES:
O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cnn2CC(F)(F)COc12 |r,wU:4.7,1.0,(-1.27,-4.93,;-1.66,-3.44,;-3.15,-3.05,;-3.55,-1.56,;-2.46,-.47,;-.97,-.87,;-.57,-2.36,;-2.86,1.02,;-4.32,1.49,;-5.66,.72,;-6.99,1.49,;-6.99,3.03,;-5.66,3.8,;-4.32,3.03,;-2.86,3.51,;-1.95,2.26,;-.41,2.26,;.36,3.6,;-.41,4.93,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;4.21,2.26,;2.67,2.26,;4.98,.93,;6.52,.93,;6.99,-.53,;5.75,-1.44,;5.58,-2.97,;4.18,-3.6,;3.41,-4.93,;4.95,-4.93,;2.93,-2.69,;3.09,-1.16,;4.5,-.53,)|
Structure:
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