Title : Rigorous Computational Study Reveals What Docking Overlooks: Double Trouble from Membrane Association in Protein Kinase C Modulators.

Pub. Date : 2020 Nov 23

PMID : 32915560






1 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 Although a less lipophilic pyrimidine analog, PYR-1gP (clogP = 3.30), gave positive results in computational docking, it unexpectedly presented greatly diminished binding to PKC in vitro. pyrimidine proline rich transmembrane protein 2 Homo sapiens