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
CASP1_HUMAN

Docking Scores:
-4.61 -4.84 -5.77
Similarity Score:
16.44%
Best Match:
CHEMBL466565

L: Alfentanil
CASP1_HUMAN

Docking Scores:
-5.81 -6.47 -5.96
Similarity Score:
42.21%
Best Match:
CHEMBL322631

L: Pimecrolimus
CASP1_HUMAN

Docking Scores:
-6.88 -7.18 -7.27
Similarity Score:
47.31%
Best Match:
CHEMBL198845

L: Levacetylmethadol
CASP1_HUMAN

Docking Scores:
-4.95 -6.98 -5.52
Similarity Score:
48.94%
Best Match:
CHEMBL466565

L: Rofecoxib
CASP1_HUMAN

Docking Scores:
-6.21 -7.26 -5.91
Similarity Score:
30.34%
Best Match:
CHEMBL1222686

L: Amantadine
CDK5_HUMAN

Docking Scores:
-6.86 -6.80 -5.52
Similarity Score:
23.64%
Best Match:
CHEMBL1994526

L: Alfentanil
CDK5_HUMAN

Docking Scores:
-6.72 -6.46 -6.64
Similarity Score:
30.00%
Best Match:
CHEMBL1988141

L: Pimecrolimus
CDK5_HUMAN

Docking Scores:
-8.03 -8.51 -4.99
Similarity Score:
28.88%
Best Match:
CHEMBL1980995

L: Levacetylmethadol
CDK5_HUMAN

Docking Scores:
-5.76 -4.74 -5.38
Similarity Score:
44.57%
Best Match:
CHEMBL1988201

L: Rofecoxib
CDK5_HUMAN

Docking Scores:
-8.15 -9.21 -8.58
Similarity Score:
29.14%
Best Match:
CHEMBL1996176

L: Amantadine
CHLE_HUMAN

Docking Scores:
-6.08 -5.88 -6.08
Similarity Score:
68.42%
Best Match:
CHEMBL498645

L: Alfentanil
CHLE_HUMAN

Docking Scores:
-7.91 -8.44 -7.94
Similarity Score:
38.06%
Best Match:
CHEMBL4060562

L: Pimecrolimus
CHLE_HUMAN

Docking Scores:
-5.30 -2.03 -9.49
Similarity Score:
41.28%
Best Match:
CHEMBL4079599

L: Levacetylmethadol
CHLE_HUMAN

Docking Scores:
-8.29 -8.13 -8.68
Similarity Score:
43.75%
Best Match:
CHEMBL603913

L: Rofecoxib
CHLE_HUMAN

Docking Scores:
-10.03 -9.25 -8.93
Similarity Score:
37.50%
Best Match:
CHEMBL492233

L: Amantadine
CNR1_HUMAN

Docking Scores:
-5.83 -6.25 -6.59
Similarity Score:
26.67%
Best Match:
CHEMBL483143

L: Alfentanil
CNR1_HUMAN

Docking Scores:
-7.72 -9.03 -8.12
Similarity Score:
39.57%
Best Match:
CHEMBL199873

L: Pimecrolimus
CNR1_HUMAN

Docking Scores:
-6.73 -5.75 -6.81
Similarity Score:
45.45%
Best Match:
CHEMBL3597330

L: Levacetylmethadol
CNR1_HUMAN

Docking Scores:
-5.97 -7.75 -5.43
Similarity Score:
45.92%
Best Match:
CHEMBL3321781

L: Rofecoxib
CNR1_HUMAN

Docking Scores:
-9.01 -9.40 -10.20
Similarity Score:
33.80%
Best Match:
CHEMBL361957