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
AOFA_HUMAN

Docking Scores:
-6.77 -7.06 -6.96
Similarity Score:
25.53%
Best Match:
CHEMBL3605361

L: Alfentanil
AOFA_HUMAN

Docking Scores:
-8.53 -8.49 -8.88
Similarity Score:
37.44%
Best Match:
CHEMBL394864

L: Pimecrolimus
AOFA_HUMAN

Docking Scores:
-4.78 3.24 36.97
Similarity Score:
27.45%
Best Match:
CHEMBL1629810

L: Levacetylmethadol
AOFA_HUMAN

Docking Scores:
-7.44 -6.87 -6.68
Similarity Score:
51.35%
Best Match:
CHEMBL3330339

L: Rofecoxib
AOFA_HUMAN

Docking Scores:
-9.34 -9.92 -9.20
Similarity Score:
44.00%
Best Match:
CHEMBL332223

L: Amantadine
AOFB_HUMAN

Docking Scores:
-6.87 -6.95 -7.31
Similarity Score:
25.53%
Best Match:
CHEMBL3605359

L: Alfentanil
AOFB_HUMAN

Docking Scores:
-9.57 -8.75 -8.72
Similarity Score:
31.33%
Best Match:
CHEMBL3781329

L: Pimecrolimus
AOFB_HUMAN

Docking Scores:
25.18 33.38 39.89
Similarity Score:
28.44%
Best Match:
CHEMBL4062286

L: Levacetylmethadol
AOFB_HUMAN

Docking Scores:
-8.38 -7.22 -8.10
Similarity Score:
51.35%
Best Match:
CHEMBL3330339

L: Rofecoxib
AOFB_HUMAN

Docking Scores:
-9.89 -10.26 -10.74
Similarity Score:
44.72%
Best Match:
CHEMBL1254624

L: Amantadine
BACE1_HUMAN

Docking Scores:
-5.04 -5.07 -5.50
Similarity Score:
26.00%
Best Match:
CHEMBL583178

L: Alfentanil
BACE1_HUMAN

Docking Scores:
-6.77 -6.97 -7.51
Similarity Score:
46.43%
Best Match:
CHEMBL1645517

L: Pimecrolimus
BACE1_HUMAN

Docking Scores:
-9.21 -9.26 -8.97
Similarity Score:
46.97%
Best Match:
CHEMBL508218

L: Levacetylmethadol
BACE1_HUMAN

Docking Scores:
-6.11 -6.48 -6.99
Similarity Score:
45.92%
Best Match:
CHEMBL1092504

L: Rofecoxib
BACE1_HUMAN

Docking Scores:
-6.82 -7.88 -8.53
Similarity Score:
37.93%
Best Match:
CHEMBL3677230

L: Amantadine
CAH2_HUMAN

Docking Scores:
-4.92 -4.75 -4.20
Similarity Score:
46.43%
Best Match:
CHEMBL355555

L: Alfentanil
CAH2_HUMAN

Docking Scores:
-7.34 -6.93 -6.84
Similarity Score:
37.67%
Best Match:
CHEMBL183450

L: Pimecrolimus
CAH2_HUMAN

Docking Scores:
-7.36 -7.85 -6.99
Similarity Score:
39.68%
Best Match:
CHEMBL170725

L: Levacetylmethadol
CAH2_HUMAN

Docking Scores:
-6.55 -6.49 -6.45
Similarity Score:
44.21%
Best Match:
CHEMBL419006

L: Rofecoxib
CAH2_HUMAN

Docking Scores:
-6.93 -8.39 -8.27
Similarity Score:
50.00%
Best Match:
CHEMBL419006