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
CNR2_HUMAN

Docking Scores:
-6.49 -6.81
Similarity Score:
28.89%
Best Match:
CHEMBL1422818

L: Alfentanil
CNR2_HUMAN

Docking Scores:
-8.04 -8.77
Similarity Score:
39.61%
Best Match:
CHEMBL1762292

L: Pimecrolimus
CNR2_HUMAN

Docking Scores:
13.48 10.87
Similarity Score:
45.16%
Best Match:
CHEMBL3597331

L: Levacetylmethadol
CNR2_HUMAN

Docking Scores:
-8.23 -8.01
Similarity Score:
49.47%
Best Match:
CHEMBL1765274

L: Rofecoxib
CNR2_HUMAN

Docking Scores:
-9.73 -9.51
Similarity Score:
33.11%
Best Match:
CHEMBL3410820

L: Amantadine
COLI_HUMAN

Docking Scores:
-6.50 -6.27 -4.87
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
COLI_HUMAN

Docking Scores:
-7.52 -7.68 -6.83
Similarity Score:
N/A
Best Match:
N/A

L: Pimecrolimus
COLI_HUMAN

Docking Scores:
-7.08 -7.65 -7.78
Similarity Score:
N/A
Best Match:
N/A

L: Levacetylmethadol
COLI_HUMAN

Docking Scores:
-6.92 -6.38 -6.09
Similarity Score:
N/A
Best Match:
N/A

L: Rofecoxib
COLI_HUMAN

Docking Scores:
-9.17 -9.06 -7.70
Similarity Score:
N/A
Best Match:
N/A

L: Amantadine
COMT_HUMAN

Docking Scores:
-3.93 -5.43 -3.96
Similarity Score:
9.43%
Best Match:
CHEMBL3425731

L: Alfentanil
COMT_HUMAN

Docking Scores:
-5.52 -6.06 -5.47
Similarity Score:
25.59%
Best Match:
CHEMBL3819488

L: Pimecrolimus
COMT_HUMAN

Docking Scores:
-6.32 -8.01 -3.67
Similarity Score:
26.62%
Best Match:
CHEMBL3819488

L: Levacetylmethadol
COMT_HUMAN

Docking Scores:
-5.51 -5.52 -5.74
Similarity Score:
28.57%
Best Match:
CHEMBL3425731

L: Rofecoxib
COMT_HUMAN

Docking Scores:
-7.03 -6.27 -7.22
Similarity Score:
21.66%
Best Match:
CHEMBL953

L: Amantadine
CRP_HUMAN

Docking Scores:
-4.54 -4.59
Similarity Score:
N/A
Best Match:
N/A

L: Alfentanil
CRP_HUMAN

Docking Scores:
-5.35 -5.48
Similarity Score:
N/A
Best Match:
N/A

L: Pimecrolimus
CRP_HUMAN

Docking Scores:
-5.59 -6.48
Similarity Score:
N/A
Best Match:
N/A

L: Levacetylmethadol
CRP_HUMAN

Docking Scores:
-5.14 -4.71
Similarity Score:
N/A
Best Match:
N/A

L: Rofecoxib
CRP_HUMAN

Docking Scores:
-6.35 -6.23
Similarity Score:
N/A
Best Match:
N/A