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
MDR1_HUMAN

Docking Scores:
-5.69 -6.23
Similarity Score:
57.14%
Best Match:
CHEMBL448741

L: Alfentanil
MDR1_HUMAN

Docking Scores:
-7.61 -7.38
Similarity Score:
38.46%
Best Match:
CHEMBL1008

L: Pimecrolimus
MDR1_HUMAN

Docking Scores:
-10.78 -9.96
Similarity Score:
92.67%
Best Match:
CHEMBL269732

L: Levacetylmethadol
MDR1_HUMAN

Docking Scores:
-7.14 -6.63
Similarity Score:
59.52%
Best Match:
CHEMBL914

L: Rofecoxib
MDR1_HUMAN

Docking Scores:
-8.53 -9.01
Similarity Score:
41.73%
Best Match:
CHEMBL2336636

L: Amantadine
MIF_HUMAN

Docking Scores:
-4.40 -6.37 -5.60
Similarity Score:
11.54%
Best Match:
CHEMBL233248

L: Alfentanil
MIF_HUMAN

Docking Scores:
-6.67 -6.89 -5.50
Similarity Score:
23.50%
Best Match:
CHEMBL554271

L: Pimecrolimus
MIF_HUMAN

Docking Scores:
55.31 -6.60 -5.75
Similarity Score:
31.32%
Best Match:
CHEMBL2375651

L: Levacetylmethadol
MIF_HUMAN

Docking Scores:
-5.59 -6.23 -5.95
Similarity Score:
31.39%
Best Match:
CHEMBL497598

L: Rofecoxib
MIF_HUMAN

Docking Scores:
-7.24 -8.50 -6.69
Similarity Score:
23.89%
Best Match:
CHEMBL3409229

L: Amantadine
MK01_HUMAN

Docking Scores:
-4.87 -5.30 -6.03
Similarity Score:
12.77%
Best Match:
CHEMBL547

L: Alfentanil
MK01_HUMAN

Docking Scores:
-6.36 -7.08 -7.23
Similarity Score:
38.67%
Best Match:
CHEMBL3398602

L: Pimecrolimus
MK01_HUMAN

Docking Scores:
-7.32 -7.60 -4.79
Similarity Score:
33.46%
Best Match:
CHEMBL555017

L: Levacetylmethadol
MK01_HUMAN

Docking Scores:
-5.05 -6.16 -6.52
Similarity Score:
38.46%
Best Match:
CHEMBL3752989

L: Rofecoxib
MK01_HUMAN

Docking Scores:
-8.60 -8.14 -7.20
Similarity Score:
53.47%
Best Match:
CHEMBL319244

L: Amantadine
MK03_HUMAN

Docking Scores:
-5.67 -5.41 -5.59
Similarity Score:
12.50%
Best Match:
CHEMBL3113587

L: Alfentanil
MK03_HUMAN

Docking Scores:
-6.87 -6.72 -7.54
Similarity Score:
30.65%
Best Match:
CHEMBL3590107

L: Pimecrolimus
MK03_HUMAN

Docking Scores:
-6.48 -8.41 -8.32
Similarity Score:
33.46%
Best Match:
CHEMBL555017

L: Levacetylmethadol
MK03_HUMAN

Docking Scores:
-5.40 -5.71 -5.74
Similarity Score:
31.45%
Best Match:
CHEMBL3113587

L: Rofecoxib
MK03_HUMAN

Docking Scores:
-8.84 -8.77 -8.14
Similarity Score:
24.00%
Best Match:
CHEMBL555017