Based on the binding information for these key residues, we generated a pharmacophore model with potential functional centers that bind to the residues in the pocket (Figure ). The pharmacophore search with a partial match 5 of 7 centers identified 803 compounds. We selected 170 compounds from the search based on the number of H-bonds and hydrophobic interactions in the best docking pose. Minimum three H-bonds and two hydrophobic interactions was the criteria for selection. Then we clustered the selected compounds using the Similarity Clustering of the MOE Database Viewer with a fingerprint GpiDAPH3 and similarity-overlap parameter SO = 45%. The search identified three major hit clusters, containing ten or more compounds, along with several clusters containing less than ten compounds (from nine to two) and 36 single clusters with just one compound (Table ). The two largest clusters (A and B) contain 16 and 35 compounds respectively, clusters C, D, E, F, G and H contain 11, 9, 7, 7, 5, and 5 compounds respectively; clusters I, J and K contain 4 compounds each, clusters L to V contain 2 to 3 compounds each, and there are 36 not clustered single compounds (Table ). and).