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
NTRK1_HUMAN

Docking Scores:
-5.62 -5.87 -5.71
Similarity Score:
13.48%
Best Match:
CHEMBL1982413

L: Alfentanil
NTRK1_HUMAN

Docking Scores:
-7.09 -7.17 -7.09
Similarity Score:
35.96%
Best Match:
CHEMBL3934925

L: Pimecrolimus
NTRK1_HUMAN

Docking Scores:
-7.83 -7.52 -7.01
Similarity Score:
33.33%
Best Match:
CHEMBL444109

L: Levacetylmethadol
NTRK1_HUMAN

Docking Scores:
-5.98 -7.08 -6.39
Similarity Score:
30.25%
Best Match:
CHEMBL3912980

L: Rofecoxib
NTRK1_HUMAN

Docking Scores:
-10.36 -9.51 -9.77
Similarity Score:
29.94%
Best Match:
CHEMBL1794059

L: Amantadine
OPRD_HUMAN

Docking Scores:
-5.49 -4.82 -4.75
Similarity Score:
25.00%
Best Match:
CHEMBL2112342

L: Alfentanil
OPRD_HUMAN

Docking Scores:
-7.48 -6.86 -7.26
Similarity Score:
60.84%
Best Match:
CHEMBL169366

L: Pimecrolimus
OPRD_HUMAN

Docking Scores:
-9.64 8.51 7.28
Similarity Score:
51.21%
Best Match:
CHEMBL3597152

L: Levacetylmethadol
OPRD_HUMAN

Docking Scores:
-6.64 -7.04 -6.63
Similarity Score:
56.82%
Best Match:
CHEMBL290855

L: Rofecoxib
OPRD_HUMAN

Docking Scores:
-8.59 -7.75 -7.53
Similarity Score:
34.59%
Best Match:
CHEMBL129693

L: Amantadine
OPRK_HUMAN

Docking Scores:
-5.76 -6.32 -6.21
Similarity Score:
52.00%
Best Match:
CHEMBL2432039

L: Alfentanil
OPRK_HUMAN

Docking Scores:
-8.79 -7.74 -7.73
Similarity Score:
59.84%
Best Match:
CHEMBL609147

L: Pimecrolimus
OPRK_HUMAN

Docking Scores:
-8.32 -9.99 -7.10
Similarity Score:
51.21%
Best Match:
CHEMBL3597152

L: Levacetylmethadol
OPRK_HUMAN

Docking Scores:
-7.63 -6.85 -6.98
Similarity Score:
66.67%
Best Match:
CHEMBL2260849

L: Rofecoxib
OPRK_HUMAN

Docking Scores:
-8.76 -9.01 -7.85
Similarity Score:
37.69%
Best Match:
CHEMBL279298

L: Amantadine
OPRM_MOUSE

Docking Scores:
-6.50 -5.31
Similarity Score:
18.31%
Best Match:
CHEMBL592

L: Alfentanil
OPRM_MOUSE

Docking Scores:
-7.85 -7.95
Similarity Score:
54.68%
Best Match:
CHEMBL2311157

L: Pimecrolimus
OPRM_MOUSE

Docking Scores:
-9.24 -10.25
Similarity Score:
49.48%
Best Match:
CHEMBL405663

L: Levacetylmethadol
OPRM_MOUSE

Docking Scores:
-7.34 -6.96
Similarity Score:
45.71%
Best Match:
CHEMBL440765

L: Rofecoxib
OPRM_MOUSE

Docking Scores:
-8.36 -8.02
Similarity Score:
31.74%
Best Match:
CHEMBL186041