anti-pain drug v3 #222 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Amantadine
HPGDS_HUMAN

Docking Scores:
-5.46 -4.46 -5.44
Similarity Score:
11.54%
Best Match:
CHEMBL3134492

L: Alfentanil
HPGDS_HUMAN

Docking Scores:
-6.76 -6.72 -6.86
Similarity Score:
41.52%
Best Match:
CHEMBL3425956

L: Pimecrolimus
HPGDS_HUMAN

Docking Scores:
-7.75 -8.37 -6.92
Similarity Score:
25.24%
Best Match:
CHEMBL3650224

L: Levacetylmethadol
HPGDS_HUMAN

Docking Scores:
-6.95 -6.17 -6.10
Similarity Score:
25.29%
Best Match:
CHEMBL3698265

L: Rofecoxib
HPGDS_HUMAN

Docking Scores:
-7.86 -7.60 -6.88
Similarity Score:
24.08%
Best Match:
CHEMBL572528

L: Amantadine
HRH1_HUMAN

Docking Scores:
-5.20
Similarity Score:
22.41%
Best Match:
CHEMBL571174

L: Alfentanil
HRH1_HUMAN

Docking Scores:
-6.43
Similarity Score:
45.45%
Best Match:
CHEMBL1242923

L: Pimecrolimus
HRH1_HUMAN

Docking Scores:
68.56
Similarity Score:
31.02%
Best Match:
CHEMBL1278112

L: Levacetylmethadol
HRH1_HUMAN

Docking Scores:
-3.67
Similarity Score:
59.52%
Best Match:
CHEMBL914

L: Rofecoxib
HRH1_HUMAN

Docking Scores:
-7.85
Similarity Score:
31.11%
Best Match:
CHEMBL908

L: Amantadine
HYES_HUMAN

Docking Scores:
-6.05 -6.79 -6.50
Similarity Score:
39.39%
Best Match:
CHEMBL69663

L: Alfentanil
HYES_HUMAN

Docking Scores:
-7.98 -7.98 -8.01
Similarity Score:
42.25%
Best Match:
CHEMBL549576

L: Pimecrolimus
HYES_HUMAN

Docking Scores:
-8.61 -2.61 -8.71
Similarity Score:
42.00%
Best Match:
CHEMBL561665

L: Levacetylmethadol
HYES_HUMAN

Docking Scores:
-7.71 -6.79 -7.38
Similarity Score:
53.27%
Best Match:
CHEMBL2070334

L: Rofecoxib
HYES_HUMAN

Docking Scores:
-9.99 -8.65 -8.33
Similarity Score:
45.00%
Best Match:
CHEMBL4071682

L: Amantadine
IKKB_HUMAN

Docking Scores:
-4.92
Similarity Score:
15.38%
Best Match:
CHEMBL1762621

L: Alfentanil
IKKB_HUMAN

Docking Scores:
-5.83
Similarity Score:
34.62%
Best Match:
CHEMBL2208034

L: Pimecrolimus
IKKB_HUMAN

Docking Scores:
-7.08
Similarity Score:
48.98%
Best Match:
CHEMBL1672879

L: Levacetylmethadol
IKKB_HUMAN

Docking Scores:
-4.93
Similarity Score:
33.02%
Best Match:
CHEMBL1253688

L: Rofecoxib
IKKB_HUMAN

Docking Scores:
-9.33
Similarity Score:
38.71%
Best Match:
CHEMBL3114503