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Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525508
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
293±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:
BDBM525508
Synonyms:
US11174245, # I-176
Type:
Small organic molecule
Emp. Form.:
C24H23N5O2
Mol. Mass.:
413.4717
SMILES:
O[C@H]1CC[C@H](CC1)n1c2ccccc2[nH]\c1=N/C(=O)c1ccnc(c1)-c1ccncc1 |r,wU:4.7,1.0,(-1.41,-4.93,;-1.81,-3.44,;-3.3,-3.05,;-3.7,-1.56,;-2.61,-.47,;-1.12,-.87,;-.72,-2.36,;-3.01,1.02,;-4.47,1.49,;-5.8,.72,;-7.14,1.49,;-7.14,3.03,;-5.8,3.8,;-4.47,3.03,;-3.01,3.51,;-2.1,2.26,;-.56,2.26,;.21,3.6,;-.56,4.93,;1.75,3.6,;2.52,4.93,;4.06,4.93,;4.83,3.6,;4.06,2.26,;2.52,2.26,;4.83,.93,;4.06,-.4,;4.83,-1.74,;6.37,-1.74,;7.14,-.4,;6.37,.93,)|
Structure:
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