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Target
Epidermal growth factor receptor [695-745,751-1022,T790M,C797S]
Ligand
BDBM525490
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
0.400±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 [695-745,751-1022,T790M,C797S]
Synonyms:
EGFR | EGFR (aa 895-745, aa 751-1022, T790M, C797S) | EGFR_HUMAN | ERBB | ERBB1 | HER1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36756.18
Organism:
Homo sapiens (Human)
Description:
P00533[695-745,751-1022,T790M,C797S]
Residue:
323
Sequence:
SGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKTSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
  
Inhibitor
Name:
BDBM525490
Synonyms:
US11174245, # I-143
Type:
Small organic molecule
Emp. Form.:
C24H26N6O2
Mol. Mass.:
430.5022
SMILES:
Cc1cc(cc(n1)-c1cnn(C)c1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(4.98,5.6,;4.21,4.26,;2.67,4.26,;1.9,2.93,;2.67,1.6,;4.21,1.6,;4.98,2.93,;4.98,.26,;6.52,.26,;6.99,-1.2,;5.75,-2.11,;5.75,-3.65,;4.5,-1.2,;.36,2.93,;-.41,4.26,;-.41,1.6,;-1.95,1.6,;-2.86,2.84,;-4.32,2.37,;-5.66,3.14,;-6.99,2.37,;-6.99,.83,;-5.66,.06,;-4.32,.83,;-2.86,.35,;-2.46,-1.14,;-3.55,-2.22,;-3.15,-3.71,;-1.66,-4.11,;-1.27,-5.6,;-.57,-3.02,;-.97,-1.53,)|
Structure:
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