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Ligand · XA4

XA4 · (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl) methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno) pyrazolo[3',4':2,3][1,5,10, 12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one

XA4, (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl) methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno) pyrazolo[3',4':2,3][1,5,10, 12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one (C30 H38 N8 O2, 542.7 g/mol), in the…

Component
XA4
Formula
C30 H38 N8 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

XA4 in 4 structures; the first of them:

  • 7KXZ · Active conformation of EGFR kinase in complex with BI-4020 · XA4 A1102 · binds LEU718, PHE723, VAL726, ALA743, LYS745, GLU762, CYS775, THR790 and 12 more
  • 7KY0 · Inactive conformation of EGFR (T790M/V948R) kinase in complex with BI-4020 · XA4 D1101 · binds LYS716, VAL717, LEU718, SER720, VAL726, ALA743, LYS745, CYS775 and 12 more
  • 7KXZ · Active conformation of EGFR kinase in complex with bi-4020 · XA4 A1102 · binds LEU718, PHE723, VAL726, ALA743, LYS745, GLU762, CYS775, THR790 and 12 more
  • 7KY0 · Inactive conformation of EGFR (T790M/V948R) kinase in complex with bi- 4020 · XA4 D1101 · binds LYS716, VAL717, LEU718, SER720, VAL726, ALA743, LYS745, CYS775 and 12 more

Residues it binds most

LEU 10, CYS 10, GLY 10, ASP 10, MET 10, LYS 10, VAL 10, PHE 10, THR 10, ALA 10 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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