Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-745,751-1022,T790M,C797S]
Ligand
BDBM525446
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (100 mM ATP)
IC50
1.20±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:
BDBM525446
Synonyms:
US11174245, # I-031
Type:
Small organic molecule
Emp. Form.:
C30H34N6O4
Mol. Mass.:
542.6288
SMILES:
COc1ccncc1-c1cc(ccn1)C(=O)\N=c1/[nH]c2cc(ccc2n1CC(C)(C)O)C1CCN(CC1)C(C)=O
Structure:
Search PDB for entries with ligand similarity: