anti-pain drug v2 #221 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Aspirin
DRD4_HUMAN

Docking Scores:
-7.02 -6.67
Similarity Score:
42.86%
Best Match:
CHEMBL59326

L: Mesalazine
DRD4_HUMAN

Docking Scores:
-6.59 -6.22
Similarity Score:
35.37%
Best Match:
CHEMBL184772

L: Sulfasalazine
DRD4_HUMAN

Docking Scores:
-10.37 -10.44
Similarity Score:
33.33%
Best Match:
CHEMBL3409256

L: Methotrimeprazine
DRD4_HUMAN

Docking Scores:
-7.71 -7.53
Similarity Score:
36.61%
Best Match:
CHEMBL351611

L: Ketamine
DRD4_HUMAN

Docking Scores:
-7.03 -7.19
Similarity Score:
54.64%
Best Match:
CHEMBL61090

L: Aspirin
EDN1_HUMAN

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

L: Mesalazine
EDN1_HUMAN

Docking Scores:
-5.62
Similarity Score:
N/A
Best Match:
N/A

L: Sulfasalazine
EDN1_HUMAN

Docking Scores:
-8.43
Similarity Score:
N/A
Best Match:
N/A

L: Methotrimeprazine
EDN1_HUMAN

Docking Scores:
-6.52
Similarity Score:
N/A
Best Match:
N/A

L: Ketamine
EDN1_HUMAN

Docking Scores:
-6.17
Similarity Score:
N/A
Best Match:
N/A

L: Aspirin
ESR1_HUMAN

Docking Scores:
-6.08 -5.90 -5.70
Similarity Score:
63.08%
Best Match:
CHEMBL1082743

L: Mesalazine
ESR1_HUMAN

Docking Scores:
-5.85 -5.91 -5.78
Similarity Score:
46.15%
Best Match:
CHEMBL2071180

L: Sulfasalazine
ESR1_HUMAN

Docking Scores:
-8.95 -8.43 -8.64
Similarity Score:
41.84%
Best Match:
CHEMBL202691

L: Methotrimeprazine
ESR1_HUMAN

Docking Scores:
-7.68 -7.16 -7.65
Similarity Score:
40.16%
Best Match:
CHEMBL1627354

L: Ketamine
ESR1_HUMAN

Docking Scores:
-7.58 -7.35 -7.31
Similarity Score:
44.12%
Best Match:
CHEMBL1222035

L: Aspirin
FABP5_HUMAN

Docking Scores:
-6.12 -4.52 -4.52
Similarity Score:
53.49%
Best Match:
CHEMBL247298

L: Mesalazine
FABP5_HUMAN

Docking Scores:
-5.54 -4.62 -4.54
Similarity Score:
38.20%
Best Match:
CHEMBL247298

L: Sulfasalazine
FABP5_HUMAN

Docking Scores:
-8.20 -6.61 -6.49
Similarity Score:
29.23%
Best Match:
CHEMBL3941588

L: Methotrimeprazine
FABP5_HUMAN

Docking Scores:
-7.52 -5.26 -5.08
Similarity Score:
15.34%
Best Match:
CHEMBL3941588

L: Ketamine
FABP5_HUMAN

Docking Scores:
-6.59 -4.81 -4.83
Similarity Score:
27.04%
Best Match:
CHEMBL3941588