Reference ligand

Structure file (in SDF or PDB format) containing the crystal-bound conformation of reference ligand (Reactant A) in the gpllh-HSDl cocrystal complex... 

For the series of metals M , correlation between stabilities of the complexes of ligand L1 and that for reference ligand L2... 

Groups of two to three mice are treated with (a) the same concentration of the compounds of interest, (b) the reference ligand of known activity, and (c) the vehicle. 

Ligand system Metal Reference Ligand system Metal Reference... 

Acetylacetonate is usually considered the reference ligand for the fi-diketonates and it has been comprehensively studied. Neutral ligand compounds are known acacH acts as a unidentate ligand on an (MnBr2) linear polymer, like (8), and it chelates in [Mn(acacH)3] InCl4]2.286 A related ligand diamidomalonate has been proven to Chelate in [Mn(N03)2L2], which has bidentate amide and unidentate nitrates.289... 

Figure 7. Stereo images of the positions of Ca atoms for the superposed sites in sub-class 1 a, family 1 (top panel) and in sub-class la, family 2 (bottom panel). Each Ca atom presents a contact residue. The ligands shown are the reference ligands in each case.

Employment of active reference ligands and a pseudo-rcccptor approach... 

Because of the large investments in the hardware and software infrastructure required for HTS, to replace the primary screening in HTS by virtual screening, followed by the validation of a relatively small number of hits in experimental screening is seen as a valuable alternative (Fig. 2c). However, this task is only feasible if either information about protein structure or reference ligands is available (33). In addition to the physically available in-house collection, virtual screening can include... 

PPARa/PPARg79 PEPTL0 CoMFA Reference ligand 0.7... 

The attractiveness of this approach is undoubtedly enhanced by the fact that K can be directly calculated from experimental data. However, if Equations (10) and (14) are combined and all terms in the summations are divided by [HLr], the concentration of an arbitrarily selected reference ligand, K can be expressed as... 

---