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Target
Epidermal growth factor receptor [695-1022,T790M,C797S,L858R]
Ligand
BDBM525534
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
0.300±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:
BDBM525534
Synonyms:
US11174245, # I-211
Type:
Small organic molecule
Emp. Form.:
C23H25N7O2
Mol. Mass.:
431.4903
SMILES:
Cn1cc(cn1)-c1cc(cc(N)n1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(4.48,-3.56,;5.25,-2.23,;4.35,-.98,;5.25,.26,;6.72,-.21,;6.72,-1.75,;4.48,1.6,;2.94,1.6,;2.17,2.93,;2.94,4.26,;4.48,4.26,;5.25,5.6,;5.25,2.93,;.63,2.93,;-.14,4.26,;-.14,1.6,;-1.68,1.6,;-2.58,2.84,;-4.05,2.37,;-5.38,3.14,;-6.72,2.37,;-6.72,.83,;-5.38,.06,;-4.05,.83,;-2.58,.35,;-2.19,-1.14,;-3.27,-2.22,;-2.88,-3.71,;-1.39,-4.11,;-.99,-5.6,;-.3,-3.02,;-.7,-1.53,)|
Structure:
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