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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 5.

3D overlay to reference peptide ff(D-nel)r-NH2 classified into three groups by activity

Molecules aligned to molecule 1 Average Ki (nM) Average 3D similarity
to molecule 1
  2-8
Common
pharmacophore to
active peptides:
R4=r and R3≠W		 graphic file with name nihms-487848-t0005.jpg 3.95 0.71
  9-16
Common
pharmacophore to
middle active
peptides: R4=cha
and R3≠W		 83.87 0.60
  17-24
Common
pharmacophore to
inactive peptides
R3=W regardless
R1,R2 and R4		 5575 0.53