anti-pain drug v2 #221 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Aspirin
AA1R_HUMAN

Docking Scores:
-5.58 -5.62 -6.41
Similarity Score:
32.77%
Best Match:
CHEMBL2151131

L: Mesalazine
AA1R_HUMAN

Docking Scores:
-5.24 -5.57 -5.79
Similarity Score:
38.10%
Best Match:
CHEMBL196375

L: Sulfasalazine
AA1R_HUMAN

Docking Scores:
-9.15 -8.38 -8.45
Similarity Score:
43.50%
Best Match:
CHEMBL208705

L: Methotrimeprazine
AA1R_HUMAN

Docking Scores:
-7.37 -7.06 -7.16
Similarity Score:
28.73%
Best Match:
CHEMBL596460

L: Ketamine
AA1R_HUMAN

Docking Scores:
-7.53 -6.86 -7.05
Similarity Score:
34.15%
Best Match:
CHEMBL2435536

L: Aspirin
AA2AR_HUMAN

Docking Scores:
-5.99 -5.92 -6.00
Similarity Score:
32.79%
Best Match:
CHEMBL197359

L: Mesalazine
AA2AR_HUMAN

Docking Scores:
-5.16 -5.72 -5.74
Similarity Score:
39.13%
Best Match:
CHEMBL600008

L: Sulfasalazine
AA2AR_HUMAN

Docking Scores:
-8.47 -8.50 -9.23
Similarity Score:
36.20%
Best Match:
CHEMBL196375

L: Methotrimeprazine
AA2AR_HUMAN

Docking Scores:
-6.33 -6.60 -7.72
Similarity Score:
28.73%
Best Match:
CHEMBL596460

L: Ketamine
AA2AR_HUMAN

Docking Scores:
-7.51 -7.54 -8.12
Similarity Score:
32.58%
Best Match:
CHEMBL2368363

L: Aspirin
ACES_HUMAN

Docking Scores:
-6.60 -6.51 -7.23
Similarity Score:
52.78%
Best Match:
CHEMBL139330

L: Mesalazine
ACES_HUMAN

Docking Scores:
-6.06 -6.37 -6.60
Similarity Score:
43.18%
Best Match:
CHEMBL58521

L: Sulfasalazine
ACES_HUMAN

Docking Scores:
-10.12 -9.81 -9.03
Similarity Score:
37.10%
Best Match:
CHEMBL477772

L: Methotrimeprazine
ACES_HUMAN

Docking Scores:
-8.59 -7.95 -7.17
Similarity Score:
37.88%
Best Match:
CHEMBL1783526

L: Ketamine
ACES_HUMAN

Docking Scores:
-7.99 -7.52 -7.68
Similarity Score:
63.41%
Best Match:
CHEMBL552832

L: Aspirin
ACE_HUMAN

Docking Scores:
-5.96 -6.16 -5.95
Similarity Score:
29.69%
Best Match:
CHEMBL254493

L: Mesalazine
ACE_HUMAN

Docking Scores:
-5.98 -5.55 -5.25
Similarity Score:
25.47%
Best Match:
CHEMBL457317

L: Sulfasalazine
ACE_HUMAN

Docking Scores:
-9.48 -9.29 -8.20
Similarity Score:
31.50%
Best Match:
CHEMBL514138

L: Methotrimeprazine
ACE_HUMAN

Docking Scores:
-6.82 -6.96 -6.78
Similarity Score:
42.97%
Best Match:
CHEMBL1907755

L: Ketamine
ACE_HUMAN

Docking Scores:
-6.52 -6.67 -6.18
Similarity Score:
48.67%
Best Match:
CHEMBL435360