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
PTGES_HUMAN

Docking Scores:
-5.77
Similarity Score:
16.88%
Best Match:
CHEMBL3919693

L: Alfentanil
PTGES_HUMAN

Docking Scores:
-6.83
Similarity Score:
46.75%
Best Match:
CHEMBL3910746

L: Pimecrolimus
PTGES_HUMAN

Docking Scores:
-6.58
Similarity Score:
31.82%
Best Match:
CHEMBL2315862

L: Levacetylmethadol
PTGES_HUMAN

Docking Scores:
-5.96
Similarity Score:
35.51%
Best Match:
CHEMBL3919693

L: Rofecoxib
PTGES_HUMAN

Docking Scores:
-7.06
Similarity Score:
39.04%
Best Match:
CHEMBL2071516

L: Amantadine
SC6A4_HUMAN

Docking Scores:
-6.14 -6.09 -6.42
Similarity Score:
40.00%
Best Match:
CHEMBL334255

L: Alfentanil
SC6A4_HUMAN

Docking Scores:
-8.85 -8.71 -8.89
Similarity Score:
44.97%
Best Match:
CHEMBL91418

L: Pimecrolimus
SC6A4_HUMAN

Docking Scores:
4.85 -2.22 15.51
Similarity Score:
37.36%
Best Match:
CHEMBL86590

L: Levacetylmethadol
SC6A4_HUMAN

Docking Scores:
-8.19 -7.98 -8.02
Similarity Score:
63.33%
Best Match:
CHEMBL598644

L: Rofecoxib
SC6A4_HUMAN

Docking Scores:
-9.90 -9.92 -10.16
Similarity Score:
39.85%
Best Match:
CHEMBL574543

L: Amantadine
SCN9A_HUMAN

Docking Scores:
-6.83
Similarity Score:
16.92%
Best Match:
CHEMBL2152692

L: Alfentanil
SCN9A_HUMAN

Docking Scores:
-6.44
Similarity Score:
36.45%
Best Match:
CHEMBL2296310

L: Pimecrolimus
SCN9A_HUMAN

Docking Scores:
-6.96
Similarity Score:
32.64%
Best Match:
CHEMBL507974

L: Levacetylmethadol
SCN9A_HUMAN

Docking Scores:
-6.01
Similarity Score:
43.64%
Best Match:
CHEMBL206431

L: Rofecoxib
SCN9A_HUMAN

Docking Scores:
-7.67
Similarity Score:
28.02%
Best Match:
CHEMBL3682712

L: Amantadine
TLR4_HUMAN

Docking Scores:
-7.14 -7.21 -5.91
Similarity Score:
13.75%
Best Match:
CHEMBL1223752

L: Alfentanil
TLR4_HUMAN

Docking Scores:
-7.04 -7.27 -7.39
Similarity Score:
35.21%
Best Match:
CHEMBL1223752

L: Pimecrolimus
TLR4_HUMAN

Docking Scores:
-8.84 -9.15 -9.18
Similarity Score:
51.47%
Best Match:
CHEMBL2364541

L: Levacetylmethadol
TLR4_HUMAN

Docking Scores:
-7.39 -7.09 -7.31
Similarity Score:
38.57%
Best Match:
CHEMBL382272

L: Rofecoxib
TLR4_HUMAN

Docking Scores:
-8.30 -7.21 -8.77
Similarity Score:
33.78%
Best Match:
CHEMBL4071705