anti-pain drug v3 #222 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Amantadine
NMDE2_HUMAN

Docking Scores:
-5.32 -6.40 -4.57
Similarity Score:
24.07%
Best Match:
CHEMBL3357791

L: Alfentanil
NMDE2_HUMAN

Docking Scores:
-8.33 -9.32 -6.34
Similarity Score:
30.25%
Best Match:
CHEMBL218017

L: Pimecrolimus
NMDE2_HUMAN

Docking Scores:
-0.95 15.23 -6.50
Similarity Score:
21.71%
Best Match:
CHEMBL17350

L: Levacetylmethadol
NMDE2_HUMAN

Docking Scores:
-6.53 -8.52 -5.69
Similarity Score:
48.78%
Best Match:
CHEMBL3357791

L: Rofecoxib
NMDE2_HUMAN

Docking Scores:
-9.75 -9.01 -9.61
Similarity Score:
24.80%
Best Match:
CHEMBL151174

L: Amantadine
NMDZ1_HUMAN

Docking Scores:
-5.93 -5.86 -6.05
Similarity Score:
8.74%
Best Match:
CHEMBL419399

L: Alfentanil
NMDZ1_HUMAN

Docking Scores:
-7.03 -7.57 -7.19
Similarity Score:
28.84%
Best Match:
CHEMBL399075

L: Pimecrolimus
NMDZ1_HUMAN

Docking Scores:
-9.52 -7.75 -8.94
Similarity Score:
23.02%
Best Match:
CHEMBL399075

L: Levacetylmethadol
NMDZ1_HUMAN

Docking Scores:
-6.53 -6.70 -6.07
Similarity Score:
31.50%
Best Match:
CHEMBL419399

L: Rofecoxib
NMDZ1_HUMAN

Docking Scores:
-9.15 -9.92 -10.02
Similarity Score:
18.59%
Best Match:
CHEMBL401253

L: Amantadine
NOS1_HUMAN

Docking Scores:
-6.49 -6.22 -5.75
Similarity Score:
31.71%
Best Match:
CHEMBL185441

L: Alfentanil
NOS1_HUMAN

Docking Scores:
-7.02 -7.10 -7.45
Similarity Score:
35.71%
Best Match:
CHEMBL317521

L: Pimecrolimus
NOS1_HUMAN

Docking Scores:
-10.00 -10.09 -8.63
Similarity Score:
29.57%
Best Match:
CHEMBL1270460

L: Levacetylmethadol
NOS1_HUMAN

Docking Scores:
-6.44 -6.39 -7.47
Similarity Score:
39.66%
Best Match:
CHEMBL1270460

L: Rofecoxib
NOS1_HUMAN

Docking Scores:
-8.67 -8.50 -9.05
Similarity Score:
22.15%
Best Match:
CHEMBL315966

L: Amantadine
NOS2_HUMAN

Docking Scores:
-5.64 -5.27 -5.53
Similarity Score:
45.00%
Best Match:
CHEMBL1783072

L: Alfentanil
NOS2_HUMAN

Docking Scores:
-6.38 -7.35 -6.15
Similarity Score:
35.62%
Best Match:
CHEMBL112747

L: Pimecrolimus
NOS2_HUMAN

Docking Scores:
83.13 -6.40 ?
Similarity Score:
?
Best Match:
?

L: Levacetylmethadol
NOS2_HUMAN

Docking Scores:
-5.07 -6.22 -7.54
Similarity Score:
33.33%
Best Match:
CHEMBL1762476

L: Rofecoxib
NOS2_HUMAN

Docking Scores:
-8.03 -8.57 -8.84
Similarity Score:
29.58%
Best Match:
CHEMBL1762474