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. 2016 Sep 1;24(5):453–468. doi: 10.4062/biomolther.2016.168

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