Reaction Details Report a problem with these data
Target
Epidermal growth factor receptor [695-1022]
Ligand
BDBM525525
Substrate
n/a
Meas. Tech.
Biochemical EGFR Inhibition Assays (5 mM ATP)
IC50
179±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:
BDBM525525
Synonyms:
US11174245, # I-203
Type:
Small organic molecule
Emp. Form.:
C23H23ClN6O2
Mol. Mass.:
450.921
SMILES:
Cn1ncc(c1Cl)-c1cc(ccn1)C(=O)\N=c1/[nH]c2ccccc2n1[C@@H]1CC[C@H](O)CC1 |r,wU:25.28,28.32,(5.75,-2.98,;5.75,-1.44,;6.99,-.53,;6.52,.93,;4.98,.93,;4.5,-.53,;3.17,-1.3,;4.21,2.26,;2.67,2.26,;1.9,3.6,;2.67,4.93,;4.21,4.93,;4.98,3.6,;.36,3.6,;-.41,4.93,;-.41,2.26,;-1.95,2.26,;-2.86,3.51,;-4.32,3.03,;-5.66,3.8,;-6.99,3.03,;-6.99,1.49,;-5.66,.72,;-4.32,1.49,;-2.86,1.02,;-2.46,-.47,;-3.55,-1.56,;-3.15,-3.05,;-1.66,-3.44,;-1.27,-4.93,;-.57,-2.36,;-.97,-.87,)|
Structure:
Search PDB for entries with ligand similarity: