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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