anti-pain drug v3 #222 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Amantadine
DRD4_HUMAN

Docking Scores:
-6.28 -6.20
Similarity Score:
20.69%
Best Match:
CHEMBL1242950

L: Alfentanil
DRD4_HUMAN

Docking Scores:
-8.52 -8.60
Similarity Score:
40.14%
Best Match:
CHEMBL3354072

L: Pimecrolimus
DRD4_HUMAN

Docking Scores:
-2.96 -4.81
Similarity Score:
33.88%
Best Match:
CHEMBL282927

L: Levacetylmethadol
DRD4_HUMAN

Docking Scores:
-6.98 -6.70
Similarity Score:
52.53%
Best Match:
CHEMBL2308105

L: Rofecoxib
DRD4_HUMAN

Docking Scores:
-8.49 -8.43
Similarity Score:
29.11%
Best Match:
CHEMBL69759

L: Amantadine
EDN1_HUMAN

Docking Scores:
-5.96
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
EDN1_HUMAN

Docking Scores:
-7.78
Similarity Score:
N/A
Best Match:
N/A

L: Pimecrolimus
EDN1_HUMAN

Docking Scores:
-9.70
Similarity Score:
N/A
Best Match:
N/A

L: Levacetylmethadol
EDN1_HUMAN

Docking Scores:
-6.35
Similarity Score:
N/A
Best Match:
N/A

L: Rofecoxib
EDN1_HUMAN

Docking Scores:
-7.64
Similarity Score:
N/A
Best Match:
N/A

L: Amantadine
ESR1_HUMAN

Docking Scores:
-5.90 -5.61 -5.58
Similarity Score:
21.21%
Best Match:
CHEMBL1200623

L: Alfentanil
ESR1_HUMAN

Docking Scores:
-7.83 -7.59 -7.77
Similarity Score:
36.59%
Best Match:
CHEMBL1475062

L: Pimecrolimus
ESR1_HUMAN

Docking Scores:
-5.54 -7.03 -6.40
Similarity Score:
37.02%
Best Match:
CHEMBL4075710

L: Levacetylmethadol
ESR1_HUMAN

Docking Scores:
-6.93 -7.34 -8.17
Similarity Score:
44.00%
Best Match:
CHEMBL1222035

L: Rofecoxib
ESR1_HUMAN

Docking Scores:
-8.76 -9.26 -9.38
Similarity Score:
43.80%
Best Match:
CHEMBL3581689

L: Amantadine
FABP5_HUMAN

Docking Scores:
-5.45 -4.20 -4.65
Similarity Score:
23.08%
Best Match:
CHEMBL82293

L: Alfentanil
FABP5_HUMAN

Docking Scores:
-8.03 -5.73 -5.76
Similarity Score:
29.00%
Best Match:
CHEMBL3959018

L: Pimecrolimus
FABP5_HUMAN

Docking Scores:
8.86 -7.25 -7.23
Similarity Score:
22.76%
Best Match:
CHEMBL3943278

L: Levacetylmethadol
FABP5_HUMAN

Docking Scores:
-8.03 -5.15 -5.20
Similarity Score:
23.20%
Best Match:
CHEMBL212860

L: Rofecoxib
FABP5_HUMAN

Docking Scores:
-8.44 -6.22 -6.03
Similarity Score:
22.70%
Best Match:
CHEMBL212860