Title : In silico discovery of small-molecule Ras inhibitors that display antitumor activity by blocking the Ras-effector interaction.

Pub. Date : 2013 May 14

PMID : 23630290






3 Functional Relationships(s)
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1 The selected compound Kobe0065 and its analog Kobe2602 exhibit inhibitory activity toward H-Ras GTP-c-Raf-1 binding both in vivo and in vitro. Guanosine Triphosphate HRas proto-oncogene, GTPase Homo sapiens
2 The NMR structure of a complex of the compound with H-Ras GTP(T35S), exclusively adopting the unique conformation, confirms its insertion into one of the surface pockets and provides a molecular basis for binding inhibition toward multiple Ras GTP-interacting molecules. Guanosine Triphosphate HRas proto-oncogene, GTPase Homo sapiens
3 The NMR structure of a complex of the compound with H-Ras GTP(T35S), exclusively adopting the unique conformation, confirms its insertion into one of the surface pockets and provides a molecular basis for binding inhibition toward multiple Ras GTP-interacting molecules. Guanosine Triphosphate HRas proto-oncogene, GTPase Homo sapiens