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Target
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]
Ligand
BDBM525545
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
1.80±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,T790M,C797S,L858R]
Synonyms:
EGFR | EGFR (aa 695-1022, L858R, T790M, C797S) | EGFR_HUMAN | ERBB | ERBB1 | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37397.86
Organism:
Homo sapiens (Human)
Description:
P00533[695-1022,T790M,C797S,L858R]
Residue:
328
Sequence:
SGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
  
Inhibitor
Name:
BDBM525545
Synonyms:
US11174245, # I-223
Type:
Small organic molecule
Emp. Form.:
C29H35N7O3
Mol. Mass.:
529.6333
SMILES:
Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccc(CN3CCOCC3)cc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:32.36,35.40,(4.17,6.41,;4.17,4.87,;2.83,4.1,;2.83,2.56,;4.17,1.79,;5.5,2.56,;5.5,4.1,;6.83,1.79,;8.3,2.26,;9.2,1.02,;8.3,-.23,;9.07,-1.56,;6.83,.25,;1.5,1.79,;.16,2.56,;1.5,.25,;.16,-.52,;-1.24,.11,;-2.27,-1.04,;-3.81,-1.04,;-4.58,-2.37,;-3.81,-3.71,;-4.58,-5.04,;-6.12,-5.04,;-6.89,-3.71,;-8.43,-3.71,;-9.2,-5.04,;-8.43,-6.37,;-6.89,-6.37,;-2.27,-3.71,;-1.5,-2.37,;0,-2.05,;1.09,-3.14,;.69,-4.63,;1.78,-5.72,;3.27,-5.32,;4.36,-6.41,;3.67,-3.83,;2.58,-2.74,)|
Structure:
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