test4 #299 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Morphine
AMPN_HUMAN

Docking Scores:
-8.53 -9.08 -8.01
Similarity Score:
33.78%
Best Match:
CHEMBL1782887

L: Acetaminophen
AMPN_HUMAN

Docking Scores:
-5.89 -6.18 -5.50
Similarity Score:
34.02%
Best Match:
CHEMBL2332527

L: Diclophenac
AMPN_HUMAN

Docking Scores:
-7.15 -8.06 -7.99
Similarity Score:
29.69%
Best Match:
CHEMBL3764432

L: Fentanyl
AMPN_HUMAN

Docking Scores:
-8.02 -8.37 -7.69
Similarity Score:
41.38%
Best Match:
CHEMBL3764432

L: Morphine
AOFA_HUMAN

Docking Scores:
-9.95 -9.78 -9.69
Similarity Score:
34.30%
Best Match:
CHEMBL4073457

L: Acetaminophen
AOFA_HUMAN

Docking Scores:
-6.26 -6.14 -6.29
Similarity Score:
39.19%
Best Match:
CHEMBL3546846

L: Diclophenac
AOFA_HUMAN

Docking Scores:
-8.04 -8.37 -8.67
Similarity Score:
35.65%
Best Match:
CHEMBL1642672

L: Fentanyl
AOFA_HUMAN

Docking Scores:
-10.09 -9.07 -8.63
Similarity Score:
57.45%
Best Match:
CHEMBL3781494

L: Morphine
AOFB_HUMAN

Docking Scores:
-10.02 -9.89 -9.55
Similarity Score:
35.75%
Best Match:
CHEMBL4113794

L: Acetaminophen
AOFB_HUMAN

Docking Scores:
-6.27 -6.40 -6.62
Similarity Score:
47.30%
Best Match:
CHEMBL3319245

L: Diclophenac
AOFB_HUMAN

Docking Scores:
-8.49 -8.36 -8.88
Similarity Score:
36.44%
Best Match:
CHEMBL3319243

L: Fentanyl
AOFB_HUMAN

Docking Scores:
-8.68 -8.70 -10.07
Similarity Score:
50.51%
Best Match:
CHEMBL3604126

L: Morphine
BACE1_HUMAN

Docking Scores:
-7.35 -7.79 -8.45
Similarity Score:
43.53%
Best Match:
CHEMBL3955763

L: Acetaminophen
BACE1_HUMAN

Docking Scores:
-4.81 -5.36 -5.45
Similarity Score:
37.23%
Best Match:
CHEMBL3354259

L: Diclophenac
BACE1_HUMAN

Docking Scores:
-6.69 -6.82 -7.46
Similarity Score:
33.06%
Best Match:
CHEMBL3627961

L: Fentanyl
BACE1_HUMAN

Docking Scores:
-6.92 -7.39 -8.46
Similarity Score:
59.60%
Best Match:
CHEMBL2181988

L: Morphine
CAH2_HUMAN

Docking Scores:
-8.48 -7.89 -7.41
Similarity Score:
40.44%
Best Match:
CHEMBL3786651

L: Acetaminophen
CAH2_HUMAN

Docking Scores:
-5.71 -5.78 -5.66
Similarity Score:
62.71%
Best Match:
CHEMBL68590

L: Diclophenac
CAH2_HUMAN

Docking Scores:
-7.31 -7.42 -7.15
Similarity Score:
44.58%
Best Match:
CHEMBL23832

L: Fentanyl
CAH2_HUMAN

Docking Scores:
-7.37 -7.43 -7.59
Similarity Score:
61.62%
Best Match:
CHEMBL182523