Table 5.
Hsp90 docking results of combined inhibitors
Name | Target | Total Score | Crash | Polar | Similarity |
---|---|---|---|---|---|
AUY922 | Hsp90 | 11.3281 | −2.9912 | 5.8905 | 0.566 |
KOSN1559 | Hsp90 | 10.5386 | −4.2057 | 6.0038 | 0.497 |
GDM | Hsp90 | 9.0405 | −4.3587 | 5.7304 | 0.506 |
3t | Topo II | 8.9981 | −1.9006 | 2.2646 | 0.451 |
KF58333 | Hsp90 | 8.8035 | −2.216 | 3.7782 | 0.475 |
PU3 | Hsp90 | 8.6779 | −1.3914 | 2.3162 | 0.465 |
Comp. 14 | Topo II | 8.0945 | −2.9386 | 4.3295 | 0.547 |
o-RDC | Hsp90 | 7.4652 | −3.5968 | 3.1916 | 0.421 |
CCT018159 | Hsp90 | 7.4339 | −0.7895 | 3.2601 | 0.521 |
SNX0723 | Hsp90 | 7.1997 | −2.4905 | 1.3399 | 0.526 |
Salvicine S | Topo II | 7.1362 | −1.4093 | 1.6745 | 0.475 |
AT13387 | Hsp90 | 7.1259 | −2.0725 | 1.7217 | 0.519 |
Comp. 14mod | Topo II | 7.0102 | −2.3685 | 3.184 | 0.519 |
G3130 | Hsp90 | 6.8551 | −0.5655 | 4.089 | 0.514 |
QAP1 | Topo II | 6.7837 | −2.2874 | 0.9711 | 0.497 |
CPUY201112 | Hsp90 | 6.7467 | −2.5928 | 2.7711 | 0.612 |
NSC348400 | Topo II | 6.7386 | −1.4421 | 3.7083 | 0.511 |
RDC | Hsp90 | 6.6884 | −2.5576 | 3.4177 | 0.666 |
NSC35866 | Topo II | 6.649 | −1.1619 | 2.6058 | 0.486 |
Salvicine R | Topo II | 6.4918 | −2.4288 | 2.1968 | 0.510 |
Comp. 1 | Topo II | 6.4641 | −1.627 | 2.2857 | 0.561 |
2c | Topo II | 6.4036 | −3.4089 | 0.0014 | 0.329 |
KF25706 | Hsp90 | 6.185 | −2.8315 | 3.6404 | 0.647 |
Gambogic acid | Topo II | 6.0092 | −2.2055 | 1.3905 | 0.297 |
Comp. 2 | Topo II | 5.952 | −1.2823 | 1.4835 | 0.524 |
Daurinol | Topo II | 5.8292 | −0.4604 | 1.3936 | 0.556 |
KF29163 | Hsp90 | 5.7498 | −2.3134 | 1.6213 | 0.530 |
17-DMAG | Hsp90 | 5.718 | −3.6373 | 1.0756 | 0.318 |
c-RDC | Hsp90 | 5.6849 | −3.5861 | 3.0525 | 0.691 |
Comp. 5 | Topo II | 5.6657 | −1.6574 | 1.9241 | 0.430 |
D11 | Topo II | 5.6512 | −0.8901 | 2.5246 | 0.390 |
Emodin | Topo II | 5.6113 | −0.429 | 1.9987 | 0.398 |
8-Cl-ATP | Topo II | 5.5933 | −1.2132 | 4.7994 | 0.399 |
Pochonin D | Hsp90 | 5.5041 | −1.5103 | 2.1344 | 0.550 |
TSC24 | Topo II | 5.477 | −1.2353 | 0.5795 | 0.418 |
Pochonin A | Hsp90 | 5.4494 | −1.3695 | 2.6113 | 0.279 |
17-AAG | Hsp90 | 5.2911 | −2.6657 | 0.545 | 0.301 |
Aigialomycin D | Hsp90 | 4.8757 | −3.236 | 3.4461 | 0.549 |
Comp. 18 | Topo II | 4.553 | −0.4098 | 0.9114 | 0.427 |