Not your grandmothers diaryl urea -> aryl-amino-indazole, 3FI3, & 3FI2 snake around a methionine GK
an’ fer anyone worried about the minor artifacts in the original I suspect it’ll be updated soon:
This entry was posted on March 4, 2009 at 12:16 am and is filed under Jnk.
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Yeh, kind of amateurish. When I see this kind of thing I ponder the resolution which seems ok in this case. Then I think perhaps it reflects that that we are seeing is some sort of time average of multiple conformations. That too seems unusual seeing as how the pyrazole ring forms a hydrogen bond, and I wouldn’t expect it that.
These X-ray structures were obtained by soaking ligands into pre-made crystals. With a fairly good resolution – but it was done by a postdoc and he did not even have his own X-ray machine (but he was very productive).
These compounds have an interesting profile because they have high isoform selectivity, JNK3 vs JNK1. Please note that the aryl-NH group opens up a new binding pocket not present in the original binding site.