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. Author manuscript; available in PMC: 2014 Aug 1.
Published in final edited form as: Eur J Med Chem. 2013 May 30;66:114–121. doi: 10.1016/j.ejmech.2013.05.021

Table 2.

Residues within 4Å to ligand; key residues are in bold, residues important for kappa-OR selectivity are underlined

hydrophobic acidic basic Polar
JDTic X-Ray
structure		 Val108, Val118, Trp124,
Val134, Ile135, Met142, Ile209,
Val230, Trp287, Ile294, Ile316		 Asp138 Lys227,
His291 		Thr111, Gln115, Tyr139,
Cys210, Tyr312,
Gly319, Tyr320
Pep10 Val118, Trp124, Val 134,
Ile135, Met142, Ile208, Val230,
Ile290, Ile294, Leu309		 Asp138, Glu209,
Glu297 		Lys227,
His291 		Tyr139, Cys210, Tyr312
ff(D-Nle)r-NH2 Trp124, Ile135, Met142,
Leu212, Met226, Val230,
Trp287, Ile290, Ile294, Ile316		 Asp138, Glu209,
Asp223, Glu297 		Arg202,
Lys227,
His291 		Tyr139, Cys210, Ser211,
Tyr219, Tyr312