anti-pain drug v2 #221 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Aspirin
AOFA_HUMAN

Docking Scores:
-6.45 -6.62 -6.98
Similarity Score:
45.88%
Best Match:
CHEMBL2391739

L: Mesalazine
AOFA_HUMAN

Docking Scores:
-6.29 -6.22 -6.14
Similarity Score:
36.90%
Best Match:
CHEMBL2391739

L: Sulfasalazine
AOFA_HUMAN

Docking Scores:
-10.14 -10.36 -10.97
Similarity Score:
28.42%
Best Match:
CHEMBL1258719

L: Methotrimeprazine
AOFA_HUMAN

Docking Scores:
-7.09 -7.44 -6.97
Similarity Score:
26.87%
Best Match:
CHEMBL4072860

L: Ketamine
AOFA_HUMAN

Docking Scores:
-8.23 -8.16 -8.14
Similarity Score:
41.98%
Best Match:
CHEMBL3330339

L: Aspirin
AOFB_HUMAN

Docking Scores:
-6.78 -6.62 -6.63
Similarity Score:
53.73%
Best Match:
CHEMBL3278090

L: Mesalazine
AOFB_HUMAN

Docking Scores:
-6.24 -6.16 -6.36
Similarity Score:
45.78%
Best Match:
CHEMBL3769905

L: Sulfasalazine
AOFB_HUMAN

Docking Scores:
-10.66 -11.03 -10.70
Similarity Score:
29.61%
Best Match:
CHEMBL3319255

L: Methotrimeprazine
AOFB_HUMAN

Docking Scores:
-7.64 -6.91 -7.14
Similarity Score:
31.86%
Best Match:
CHEMBL597372

L: Ketamine
AOFB_HUMAN

Docking Scores:
-7.97 -8.09 -8.48
Similarity Score:
46.25%
Best Match:
CHEMBL2094026

L: Aspirin
BACE1_HUMAN

Docking Scores:
-5.11 -5.52 -5.98
Similarity Score:
35.64%
Best Match:
CHEMBL3586198

L: Mesalazine
BACE1_HUMAN

Docking Scores:
-5.24 -4.95 -5.39
Similarity Score:
34.88%
Best Match:
CHEMBL3586204

L: Sulfasalazine
BACE1_HUMAN

Docking Scores:
-7.30 -8.24 -8.55
Similarity Score:
36.63%
Best Match:
CHEMBL1210351

L: Methotrimeprazine
BACE1_HUMAN

Docking Scores:
-6.11 -6.65 -7.10
Similarity Score:
41.33%
Best Match:
CHEMBL1917912

L: Ketamine
BACE1_HUMAN

Docking Scores:
-5.85 -5.87 -6.83
Similarity Score:
49.61%
Best Match:
CHEMBL2011990

L: Aspirin
CAH2_HUMAN

Docking Scores:
-6.29 -6.27 -6.25
Similarity Score:
59.32%
Best Match:
CHEMBL2333586

L: Mesalazine
CAH2_HUMAN

Docking Scores:
-6.28 -6.27 -5.96
Similarity Score:
63.46%
Best Match:
CHEMBL2333586

L: Sulfasalazine
CAH2_HUMAN

Docking Scores:
-8.28 -8.30 -7.83
Similarity Score:
53.12%
Best Match:
CHEMBL2164736

L: Methotrimeprazine
CAH2_HUMAN

Docking Scores:
-6.53 -6.55 -6.41
Similarity Score:
30.93%
Best Match:
CHEMBL3400807

L: Ketamine
CAH2_HUMAN

Docking Scores:
-7.48 -7.36 -6.72
Similarity Score:
41.46%
Best Match:
CHEMBL206830