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. Author manuscript; available in PMC: 2015 May 1.
Published in final edited form as: Chem Biol Drug Des. 2014 Mar 14;83(5):541–549. doi: 10.1111/cbdd.12266

Table 2.

Comparison of Pro95 and Tyr181 conformations observed in the crystal structures for compound 1 and the other five FDA approved NNRTIs.

graphic file with name nihms548261u2.jpg
RT:NNRTI Complex PDB Code P95 Rotamer Y181 Conformation
Compound 1 4H4M Cγ endo “Down”
Rilpivirine 2ZD1 Cγ exo “Up”
Etravirine 3M8P Cγ exo “Up”
Efavirenz 1IKW Cγ exo “Up”
Delaviridine 1KLM Cγ exo “Up”
Nevirapine 3HVT Cγ exo “Up”