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Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525523
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
231±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:
BDBM525523
Synonyms:
US11174245, # I-201
Type:
Small organic molecule
Emp. Form.:
C23H22F2N6O2
Mol. Mass.:
452.4566
SMILES:
O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1cnn(c1)C(F)F |r,wU:4.7,1.0,(-2.55,-4.93,;-2.95,-3.44,;-4.44,-3.05,;-4.84,-1.56,;-3.75,-.47,;-2.26,-.87,;-1.86,-2.36,;-4.15,1.02,;-5.61,1.49,;-6.95,.72,;-8.28,1.49,;-8.28,3.03,;-6.95,3.8,;-5.61,3.03,;-4.15,3.51,;-3.24,2.26,;-1.7,2.26,;-.93,3.6,;-1.7,4.93,;.61,3.6,;1.38,4.93,;2.92,4.93,;3.69,3.6,;2.92,2.26,;1.38,2.26,;3.69,.93,;3.21,-.53,;4.46,-1.44,;5.7,-.53,;5.23,.93,;7.19,-.93,;8.28,.16,;7.59,-2.42,)|
Structure:
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