Table 2. The predicted fit values of the compounds from the structure based pharmacophore model of Human Hsp90.
Name | Acceptor16 | Acceptor28 | Donor5 | Donor62 | Hydrophobe21 | Hydrophobe 43 | Fit Value |
QB42.cdx | 0 | 1 | 0 | 0 | 1 | 1 | 2.922 |
Q1g.mol | 0 | 1 | 0 | 0 | 1 | 1 | 3.102 |
PZb.mol | 0 | 1 | 0 | 0 | 1 | 1 | 2.902 |
QB44.cdx | 0 | 1 | 0 | 0 | 1 | 1 | 2.894 |
Q1o.mol | 0 | 1 | 1 | 0 | 1 | 0 | 2.891 |
QB43.cdx | 0 | 1 | 1 | 0 | 1 | 0 | 2.867 |
10G14.cdx | 0 | 1 | 0 | 0 | 1 | 1 | 2.805 |
I 2g.mol | 0 | 1 | 0 | 0 | 1 | 1 | 2.779 |
T14.cdx | 1 | 1 | 0 | 0 | 1 | 0 | 2.715 |
I 2a.mol | 0 | 1 | 0 | 0 | 1 | 1 | 2.713 |
T21.cdx | 1 | 1 | 0 | 0 | 1 | 0 | 2.989 |
T20.cdx | 1 | 1 | 1 | 0 | 0 | 0 | 2.539 |
T7.cdx | 1 | 1 | 0 | 0 | 1 | 0 | 2.408 |
T2h.mol | 0 | 1 | 0 | 0 | 1 | 0 | 1.998 |
10G5.cdx | 1 | 1 | 0 | 0 | 0 | 0 | 1.994 |