Lapatinib is an organofluorine compound, an organochlorine compound, a member of quinazolines and a member of furans. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is functionally related to a monofluorobenzene.
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Structures of some approved and reported ErbB family inhibitors: Lapatinib, TAK-285
The alignment between the bioactive conformer of lapatinib (I) (colored in violet) and the docked pose (colored in green) at EGFR binding site.
Left: Docking of lapatinib (I) in EGFR binding site (PDB code: 1XKK) showing H bonds with met793 and π interaction with Lys 745. Right: Docking of (TAK285) (III) in HER-2 binding site (PDB code: 3RCD) showing H bond with met801.
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