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Exact(9)
The crystal structure of 16f bound to PDE10A revealed that the benzimidazole moiety was located deep within the PDE10A selectivity pocket and interacted with Tyr683.
In the 1H-NMR spectrum of 13, the methine proton signal of H-14 shift downfield from δH 4.1 (1H, brs) to 5.92 (1H, s), indicating that the benzoyl moiety was located at C-14.
This moiety was located at C-4″ by the HMBC correlation of H-4″ (δ H 4.51, 2H, s) with the C-9′″ (δ C 166.5) ester carbonyl carbon of the trans-p-coumaroyl group.
In the HMBC spectrum (Fig. 3), a correlation was observed between the proton at δ H 4.87 (1H, d, J = 8.0 Hz, H-1′) and the methine carbon at δ C 88.8 (C-3), suggesting that the sugar moiety was located at C-3.
This provided detailed information on relevant properties of the investigated host-guest structures and showed that the active unit of SNeuAC-C14, i.e. its spiro tricyclic moiety, was located in the polar head region of the liposome bilayer, which is an important requirement for recognition phenomena.
The DHB moiety was located in the major groove.
Similar(51)
The diarylethene moiety is located in the middle of the chain.
The calculated frequencies of the aromatic and fused rings of the perhydrobenzimidazolidine moiety were located in the expected ranges.
In a previously reported triclinic structure of fenofibrate (polymorph I), the methyl groups of the iPr moiety are located symmetrically about the carboxylate group.
The crystal structure shows that Ap5G locks an incompletely closed conformation of the enzyme, in which the adenine moiety is located outside its expected binding site.
As shown recently in the crystal structure of yeast Amt1, a binding site for the GSH moiety is located near the substrate entrance in the CIn conformation (PDB ID: 4MYH) (Srinivasan et al., 2014).
Related(20)
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