 |
| 1 |
1 |
good [0.97] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Methylene blue
antimalarial agents; possible altered redox environment, glutathione reduct... |
62.42 |
-209.97 |
0.98 |
0.96 |
0.39 |
-1.77 |
No |
|
|
|
| 2 |
2 |
good [0.95] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Artesunate
Anti-malarial |
78.36 |
-360.38 |
0.96 |
0.95 |
0.37 |
-3.35 |
No |
|
|
|
| 3 |
3 |
good [0.97] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
Methylene blue
antimalarial agents; possible altered redox environment, glutathione reduct... |
71.24 |
-497.27 |
0.95 |
0.93 |
0.53 |
-4.54 |
No |
|
|
|
| 4 |
4 |
good [0.99] |
HB3 |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
Artesunate
Anti-malarial |
69.6 |
-319.06 |
0.94 |
0.94 |
0.7 |
-3.5 |
No |
|
|
|
| 5 |
5 |
good [0.87] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
60.79 |
-182.87 |
0.98 |
0.98 |
0.57 |
-1.97 |
No |
|
|
|
| 6 |
6 |
good [0.93] |
HB3 |
Sarpogrelate
5HT(2A) and 5HT(2B) inhibitor |
Methylene blue
antimalarial agents; possible altered redox environment, glutathione reduct... |
61.27 |
-166.01 |
0.99 |
0.98 |
0.61 |
-1.56 |
No |
|
|
|
| 7 |
7 |
good [0.97] |
HB3 |
Lumefantrine
Anti-malarial |
Methylene blue
antimalarial agents; possible altered redox environment, glutathione reduct... |
75.17 |
-363.8 |
0.96 |
0.94 |
0.16 |
-2.98 |
No |
|
|
|
| 8 |
8 |
good [0.98] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
76.49 |
-409.16 |
0.95 |
0.95 |
0.09 |
-3.55 |
No |
|
|
|
| 9 |
9 |
good [0.97] |
HB3 |
Clobetasone butyrate
corticosteroid |
ML238
unknown |
68.5 |
-1,030.45 |
0.91 |
0.86 |
0.11 |
-7.07 |
No |
|
|
|
| 10 |
10 |
good [0.99] |
HB3 |
Clobetasone butyrate
corticosteroid |
Genz-669178
PfDHODH |
61.64 |
-510.74 |
0.94 |
0.92 |
0.32 |
-3.36 |
No |
|
|
|
| 11 |
11 |
good [0.98] |
HB3 |
Clobetasone butyrate
corticosteroid |
Verapamil
Calcium Channel inhibitor |
55.86 |
-334.95 |
0.98 |
0.96 |
0.22 |
-2.12 |
No |
|
|
|
| 12 |
12 |
good [0.99] |
HB3 |
Genz-669178
PfDHODH |
ML238
unknown |
69.2 |
-601.29 |
0.95 |
0.92 |
0.28 |
-3.84 |
No |
|
|
|
| 13 |
13 |
medium [0.76] |
HB3 |
Verapamil
Calcium Channel inhibitor |
ML238
unknown |
48.32 |
-436.35 |
0.97 |
0.95 |
0.32 |
-3.08 |
No |
|
|
|
| 14 |
14 |
bad [0.59] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
1.02 |
-9.17 |
27.91 |
0.97 |
2.07 |
0 |
No |
|
|
|
| 15 |
15 |
good [0.88] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
3.03 |
0.52 |
11.82 |
0.99 |
2.84 |
0 |
No |
|
|
|
| 16 |
16 |
bad [0.46] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
42.06 |
-343.38 |
1.23 |
0.93 |
3.74 |
-0.03 |
No |
|
|
|
| 17 |
17 |
bad [0.67] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
2.04 |
-28.14 |
26.29 |
0.9 |
1.32 |
-0 |
No |
|
|
|
| 18 |
18 |
good [0.67] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
6.31 |
93.22 |
13.95 |
1.2 |
5.02 |
-0 |
No |
|
|
|
| 19 |
19 |
bad [0.69] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
56.28 |
-67.17 |
1.22 |
1.01 |
6.8 |
-0.52 |
No |
|
|
|
| 20 |
20 |
bad [0.67] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
2.06 |
-17.7 |
28.27 |
0.9 |
0.64 |
-0 |
No |
|
|
|
| 21 |
21 |
good [0.84] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
5.85 |
-25.97 |
10.51 |
0.96 |
2.2 |
-0 |
No |
|
|
|
| 22 |
22 |
bad [0.65] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
54.69 |
-187.19 |
1.22 |
0.96 |
3.27 |
-0.34 |
No |
|
|
|
| 23 |
23 |
bad [0.68] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
3.25 |
-17.09 |
18.81 |
0.97 |
1.02 |
-0 |
No |
|
|
|
| 24 |
24 |
good [0.93] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
10.82 |
-106.62 |
4.63 |
0.9 |
3.06 |
-0.01 |
No |
|
|
|
| 25 |
25 |
bad [0.92] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
57.55 |
-207.67 |
1.16 |
0.98 |
3.36 |
-0.53 |
No |
|
|
|
| 26 |
26 |
bad [0.92] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 27 |
27 |
bad [0.60] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 28 |
28 |
bad [0.92] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
2.74 |
-20 |
19.32 |
0.93 |
2 |
-0 |
No |
|
|
|
| 29 |
29 |
bad [0.92] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 30 |
30 |
bad [0.64] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 31 |
31 |
bad [0.92] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
3.15 |
-18.49 |
20.62 |
0.97 |
1.22 |
-0 |
No |
|
|
|
| 32 |
32 |
bad [0.92] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 33 |
33 |
bad [0.68] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 34 |
34 |
bad [0.92] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
2.4 |
-11.32 |
22.69 |
0.9 |
0.29 |
-0 |
No |
|
|
|
| 35 |
35 |
bad [0.92] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 36 |
36 |
bad [0.65] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
0 |
0 |
1 |
1 |
0 |
0 |
No |
|
|
|
| 37 |
37 |
bad [0.71] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
5.58 |
-70.68 |
13.06 |
0.82 |
1.06 |
-0.01 |
No |
|
|
|
| 38 |
38 |
bad [0.63] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
0.58 |
-1.64 |
108.2 |
0.67 |
0.05 |
-0 |
No |
|
|
|
| 39 |
39 |
bad [0.65] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
1.41 |
-20.92 |
45.05 |
0.85 |
0.53 |
-0 |
No |
|
|
|
| 40 |
40 |
bad [0.68] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
11.15 |
-90.93 |
4.5 |
0.92 |
3.23 |
-0 |
No |
|
|
|
| 41 |
41 |
bad [0.66] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
0.67 |
-1.52 |
116.05 |
0.89 |
0.04 |
-0 |
No |
|
|
|
| 42 |
42 |
bad [0.65] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
1.42 |
3.55 |
50.64 |
1.05 |
0.82 |
-0 |
No |
|
|
|
| 43 |
43 |
bad [0.66] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
9.7 |
-45.85 |
4.96 |
0.98 |
4.05 |
-0 |
No |
|
|
|
| 44 |
44 |
bad [0.68] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
0.91 |
-0.8 |
100.85 |
0.85 |
0 |
0 |
No |
|
|
|
| 45 |
45 |
bad [0.68] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
1.16 |
-4.2 |
51.87 |
0.94 |
0.26 |
-0 |
No |
|
|
|
| 46 |
46 |
bad [0.68] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
7.65 |
-29.73 |
6.94 |
0.94 |
1.4 |
-0 |
No |
|
|
|
| 47 |
47 |
bad [0.65] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
1.23 |
-2.72 |
55.49 |
0.94 |
0.08 |
-0 |
No |
|
|
|
| 48 |
48 |
bad [0.68] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
1.6 |
-12.86 |
41.44 |
0.94 |
0.53 |
-0 |
No |
|
|
|
| 49 |
49 |
good [0.94] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
6.16 |
-29.01 |
7.59 |
0.96 |
2.08 |
-0 |
No |
|
|
|
| 50 |
50 |
good [0.52] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
33.2 |
-48.7 |
0.99 |
0.98 |
3.5 |
-1.74 |
No |
|
|
|
| 51 |
51 |
good [0.98] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
29.12 |
-534.79 |
1.44 |
0.78 |
4.36 |
-0.21 |
No |
|
|
|
| 52 |
52 |
good [0.99] |
HB3 |
ML238
unknown |
Genz-669178
PfDHODH |
72.65 |
-769.65 |
0.91 |
0.9 |
0.11 |
-6.03 |
No |
|
|
|
| 53 |
53 |
good [0.99] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
86.04 |
-353.38 |
0.97 |
0.97 |
0.07 |
-3.21 |
No |
|
|
|
| 54 |
54 |
good [0.99] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
90.79 |
-619.72 |
0.92 |
0.92 |
0.41 |
-6.03 |
No |
|
|
|
| 55 |
55 |
good [0.94] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Artesunate
Anti-malarial |
83.88 |
-342.44 |
0.97 |
0.97 |
0.02 |
-3.02 |
No |
|
|
|
| 56 |
56 |
good [0.92] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
83.56 |
-367.07 |
0.95 |
0.94 |
0.24 |
-3.14 |
No |
|
|
|
| 57 |
57 |
good [0.94] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
48.64 |
-120.66 |
1 |
0.97 |
2.45 |
-1.41 |
No |
|
|
|
| 58 |
58 |
good [0.99] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
72.22 |
-316.79 |
0.96 |
0.95 |
0.26 |
-2.41 |
No |
|
|
|
| 59 |
59 |
good [0.97] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
84.43 |
-205.34 |
0.99 |
0.98 |
2.03 |
-3.11 |
No |
|
|
|
| 60 |
60 |
good [0.99] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
78.95 |
-526.72 |
0.91 |
0.9 |
1.19 |
-5.23 |
No |
|
|
|
| 61 |
61 |
good [0.83] |
HB3 |
Lumefantrine
Anti-malarial |
Artesunate
Anti-malarial |
66.6 |
-15.57 |
1.02 |
1.01 |
2.22 |
-1.3 |
No |
|
|
|
| 62 |
62 |
good [0.96] |
HB3 |
Sorafenib
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-3) inhibitor |
Reserpine
Alkaloid antipsychotic |
60.81 |
-169.16 |
0.99 |
0.98 |
0.68 |
-1.42 |
No |
|
|
|
| 63 |
63 |
good [0.94] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Miconazole
antifungal agent; Aromatase Inhibitor |
63.75 |
-690.17 |
0.92 |
0.9 |
0.16 |
-5.92 |
No |
|
|
|
| 64 |
64 |
good [0.99] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
77.7 |
-479.11 |
0.94 |
0.92 |
0.61 |
-4.27 |
No |
|
|
|
| 65 |
65 |
good [0.99] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
48.96 |
-299.64 |
0.98 |
0.97 |
0.41 |
-2.64 |
No |
|
|
|
| 66 |
66 |
good [0.99] |
HB3 |
Actinomycin D
DNA-Directed RNA Polymerase Inhibitor |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
66.92 |
-178.19 |
0.99 |
0.98 |
0.71 |
-1.53 |
No |
|
|
|
| 67 |
67 |
good [0.97] |
HB3 |
ZM-447439
Aurora kinase A inhibitor |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
77.05 |
-213.54 |
0.99 |
0.98 |
0.39 |
-1.69 |
No |
|
|
|
| 68 |
68 |
good [0.94] |
HB3 |
Lumefantrine
Anti-malarial |
Halofantrine hydrochloride
antimalarial agents; possibly Inhibtion of heme crystallization/inhibition ... |
68.47 |
-466.96 |
0.93 |
0.92 |
0.06 |
-3.67 |
No |
|
|
|
| 69 |
69 |
good [0.98] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
79.93 |
-802.77 |
0.9 |
0.88 |
0.15 |
-7.23 |
No |
|
|
|
| 70 |
70 |
good [0.97] |
HB3 |
Clobetasone butyrate
corticosteroid |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
35.1 |
-47.77 |
1.01 |
1 |
1.35 |
-0.61 |
No |
|
|
|
| 71 |
71 |
good [0.97] |
HB3 |
Sarpogrelate
5HT(2A) and 5HT(2B) inhibitor |
Dihydroergotamine
serontonin, dopamine, epinephrine receptor agonist |
48.22 |
-453.13 |
0.96 |
0.96 |
0.38 |
-4.54 |
No |
|
|
|
| 72 |
72 |
good [0.99] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Actinomycin D
DNA-Directed RNA Polymerase Inhibitor |
43.45 |
-156.32 |
0.98 |
0.97 |
0.55 |
-1.15 |
No |
|
|
|
| 73 |
73 |
good [0.91] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
Actinomycin D
DNA-Directed RNA Polymerase Inhibitor |
59.12 |
-69.07 |
1 |
0.99 |
0.61 |
-0.68 |
No |
|
|
|
| 74 |
74 |
good [0.93] |
HB3 |
Azithromycin
Anti-bacterial |
Actinomycin D
DNA-Directed RNA Polymerase Inhibitor |
36.44 |
-200.73 |
0.98 |
0.97 |
0.92 |
-1.5 |
No |
|
|
|
| 75 |
75 |
good [0.82] |
HB3 |
Lumefantrine
Anti-malarial |
Actinomycin D
DNA-Directed RNA Polymerase Inhibitor |
32.55 |
-192.51 |
0.97 |
0.96 |
0.34 |
-1.41 |
No |
|
|
|
| 76 |
76 |
good [0.97] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Azithromycin
Anti-bacterial |
51.82 |
-194.46 |
1.02 |
0.97 |
1.34 |
-0.73 |
No |
|
|
|
| 77 |
77 |
good [0.83] |
HB3 |
Clobetasone butyrate
corticosteroid |
Ivermectin
Glutamate-gated chloride channel activator |
61.84 |
-856.31 |
0.92 |
0.9 |
0.31 |
-7.35 |
No |
|
|
|
| 78 |
78 |
good [0.96] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Sarpogrelate
5HT(2A) and 5HT(2B) inhibitor |
52.45 |
-462.03 |
0.94 |
0.93 |
0.35 |
-4.66 |
No |
|
|
|
| 79 |
79 |
good [0.92] |
HB3 |
Sorafenib
Vascular Endothelial Growth Factor Receptor 3 (VEGFR-3) inhibitor |
Sarpogrelate
5HT(2A) and 5HT(2B) inhibitor |
34.72 |
-11.73 |
1.01 |
1 |
2.63 |
-2.18 |
No |
|
|
|
| 80 |
80 |
good [0.95] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Lumefantrine
Anti-malarial |
77.02 |
-594.55 |
0.89 |
0.88 |
0.01 |
-5.04 |
No |
|
|
|
| 81 |
81 |
good [0.84] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
Lumefantrine
Anti-malarial |
62.91 |
-345.92 |
0.95 |
0.95 |
0.09 |
-2.97 |
No |
|
|
|
| 82 |
82 |
good [1.00] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Vorinostat (SAHA)
Histone deacetylase 1, class I inhibitor |
47.02 |
135.07 |
1.05 |
1.03 |
3.01 |
-0.2 |
No |
|
|
|
| 83 |
83 |
good [0.45] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
Vorinostat (SAHA)
Histone deacetylase 1, class I inhibitor |
52.03 |
-163.11 |
0.99 |
0.99 |
0.66 |
-1.57 |
No |
|
|
|
| 84 |
84 |
good [0.99] |
HB3 |
JTC-801
Nociceptin Receptor antagonist |
Vorinostat (SAHA)
Histone deacetylase 1, class I inhibitor |
35.87 |
-134.59 |
1.04 |
1.03 |
0.41 |
-1.08 |
No |
|
|
|
| 85 |
85 |
good [0.96] |
HB3 |
ZM-447439
Aurora kinase A inhibitor |
Clobetasone butyrate
corticosteroid |
33.18 |
-14.13 |
1.01 |
1 |
1.37 |
-0.44 |
No |
|
|
|
| 86 |
86 |
good [1.00] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Epothilone B
Microtubule-Stabilizing agent |
61.76 |
-363.31 |
0.96 |
0.95 |
0.13 |
-2.21 |
No |
|
|
|
| 87 |
87 |
good [1.00] |
HB3 |
Docetaxel
Microtubule-Stabilizing agent |
Epothilone B
Microtubule-Stabilizing agent |
53.92 |
-315.27 |
0.97 |
0.96 |
1.43 |
-2.3 |
No |
|
|
|
| 88 |
88 |
good [0.98] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
Docetaxel
Microtubule-Stabilizing agent |
33.07 |
-65.95 |
1 |
0.99 |
1.35 |
-0.49 |
No |
|
|
|
| 89 |
89 |
good [1.00] |
HB3 |
JTC-801
Nociceptin Receptor antagonist |
Docetaxel
Microtubule-Stabilizing agent |
62.14 |
-267.15 |
0.97 |
0.96 |
0.28 |
-2.13 |
No |
|
|
|
| 90 |
90 |
good [1.00] |
HB3 |
Vorinostat (SAHA)
Histone deacetylase 1, class I inhibitor |
Docetaxel
Microtubule-Stabilizing agent |
51.24 |
-94.09 |
1 |
0.99 |
1.32 |
-0.76 |
No |
|
|
|
| 91 |
91 |
good [0.99] |
HB3 |
Clobetasone butyrate
corticosteroid |
Docetaxel
Microtubule-Stabilizing agent |
41.01 |
-181.64 |
0.99 |
0.98 |
0.95 |
-0.88 |
No |
|
|
|
| 92 |
92 |
good [0.98] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
BTM-2C-dimer allyl oxime
artemesinin analogue |
69.68 |
-402.58 |
0.96 |
0.96 |
0.48 |
-4.04 |
No |
|
|
|
| 93 |
93 |
good [0.97] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
BTM-2C-dimer allyl oxime
artemesinin analogue |
67.62 |
-303.59 |
0.98 |
0.97 |
0.11 |
-2.73 |
No |
|
|
|
| 94 |
94 |
good [0.97] |
HB3 |
Lumefantrine
Anti-malarial |
BTM-2C-dimer allyl oxime
artemesinin analogue |
81.11 |
-183.22 |
0.99 |
0.98 |
0.52 |
-1.73 |
No |
|
|
|
| 95 |
95 |
good [0.91] |
HB3 |
Pyronaridine
Anti-malarial |
BTM-2C-dimer allyl oxime
artemesinin analogue |
88.59 |
-113.23 |
1 |
0.99 |
0.51 |
-1.3 |
No |
|
|
|
| 96 |
96 |
good [0.95] |
HB3 |
Reserpine
Alkaloid antipsychotic |
NITD609
antimalarial |
60.19 |
-39.15 |
1 |
0.99 |
0.35 |
-0.34 |
No |
|
|
|
| 97 |
97 |
good [0.97] |
HB3 |
Mefloquine
antimalarial agents; Inhibtion of heme crystallization |
NITD609
antimalarial |
35.47 |
15.56 |
1.01 |
1 |
0.75 |
-0.29 |
No |
|
|
|
| 98 |
98 |
good [0.96] |
HB3 |
Azithromycin
Anti-bacterial |
T3.5
Heme crystallization, synergistic with quinine |
28.76 |
-256.4 |
0.98 |
0.97 |
0.44 |
-2 |
No |
|
|
|
| 99 |
99 |
good [0.95] |
HB3 |
JTC-801
Nociceptin Receptor antagonist |
T3.5
Heme crystallization, synergistic with quinine |
83.96 |
-743.32 |
0.91 |
0.9 |
0.14 |
-7.01 |
No |
|
|
|
| 100 |
100 |
good [0.97] |
HB3 |
Reserpine
Alkaloid antipsychotic |
MK-4815
Inhibtion of heme crystallization, but perhaps different from quinolines |
80.98 |
-533.11 |
0.95 |
0.92 |
0.43 |
-4.3 |
No |
|
|
|
| 101 |
101 |
good [0.98] |
HB3 |
Sarpogrelate
5HT(2A) and 5HT(2B) inhibitor |
MK-4815
Inhibtion of heme crystallization, but perhaps different from quinolines |
26.21 |
-252.67 |
0.98 |
0.97 |
0.41 |
-2.55 |
No |
|
|
|
| 102 |
102 |
good [0.95] |
HB3 |
Vorinostat (SAHA)
Histone deacetylase 1, class I inhibitor |
Clindamycin
Antibiotic, Protein synthesis (50S rRNA) inhibitor |
49.2 |
-403.59 |
0.98 |
0.96 |
0.5 |
-2.51 |
No |
|
|
|
| 103 |
103 |
good [1.00] |
HB3 |
Reserpine
Alkaloid antipsychotic |
Genz-668764
unknown |
78.61 |
-331.23 |
0.97 |
0.95 |
0.49 |
-2.82 |
No |
|
|
|
| 104 |
104 |
good [1.00] |
HB3 |
Miconazole
antifungal agent; Aromatase Inhibitor |
Genz-668764
unknown |
59.72 |
-462.45 |
0.96 |
0.96 |
0.15 |
-4.11 |
No |
|
|