test4 #299 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Morphine
CASP1_HUMAN

Docking Scores:
-7.02 -7.35 -6.58
Similarity Score:
34.62%
Best Match:
CHEMBL3898379

L: Acetaminophen
CASP1_HUMAN

Docking Scores:
-4.67 -5.09 -5.06
Similarity Score:
28.57%
Best Match:
CHEMBL1221595

L: Diclophenac
CASP1_HUMAN

Docking Scores:
-5.75 -6.77 -5.58
Similarity Score:
32.35%
Best Match:
CHEMBL78154

L: Fentanyl
CASP1_HUMAN

Docking Scores:
-6.46 -6.95 -6.03
Similarity Score:
46.88%
Best Match:
CHEMBL1221597

L: Morphine
CDK5_HUMAN

Docking Scores:
-8.67 -8.91 -7.75
Similarity Score:
29.55%
Best Match:
CHEMBL422897

L: Acetaminophen
CDK5_HUMAN

Docking Scores:
-5.94 -6.39 -6.50
Similarity Score:
42.17%
Best Match:
CHEMBL1988141

L: Diclophenac
CDK5_HUMAN

Docking Scores:
-7.33 -7.84 -8.35
Similarity Score:
46.43%
Best Match:
CHEMBL1991734

L: Fentanyl
CDK5_HUMAN

Docking Scores:
-7.76 -7.70 -7.16
Similarity Score:
43.33%
Best Match:
CHEMBL1998121

L: Morphine
CHLE_HUMAN

Docking Scores:
-9.26 -9.29 -9.42
Similarity Score:
43.52%
Best Match:
CHEMBL366411

L: Acetaminophen
CHLE_HUMAN

Docking Scores:
-6.00 -5.90 -6.12
Similarity Score:
40.62%
Best Match:
CHEMBL54126

L: Diclophenac
CHLE_HUMAN

Docking Scores:
-8.65 -8.20 -8.70
Similarity Score:
45.59%
Best Match:
CHEMBL3087676

L: Fentanyl
CHLE_HUMAN

Docking Scores:
-8.47 -8.99 -9.56
Similarity Score:
52.63%
Best Match:
CHEMBL4077192

L: Morphine
CNR1_HUMAN

Docking Scores:
-8.47 -8.52 -8.66
Similarity Score:
56.82%
Best Match:
CHEMBL303479

L: Acetaminophen
CNR1_HUMAN

Docking Scores:
-5.92 -6.14 -6.28
Similarity Score:
49.33%
Best Match:
CHEMBL200094

L: Diclophenac
CNR1_HUMAN

Docking Scores:
-7.80 -8.14 -8.82
Similarity Score:
46.55%
Best Match:
CHEMBL3936647

L: Fentanyl
CNR1_HUMAN

Docking Scores:
-8.98 -9.23 -9.76
Similarity Score:
55.95%
Best Match:
CHEMBL479095

L: Morphine
CNR2_HUMAN

Docking Scores:
-9.34 -9.42
Similarity Score:
56.82%
Best Match:
CHEMBL303479

L: Acetaminophen
CNR2_HUMAN

Docking Scores:
-6.16 -6.08
Similarity Score:
41.82%
Best Match:
CHEMBL2336559

L: Diclophenac
CNR2_HUMAN

Docking Scores:
-8.58 -8.70
Similarity Score:
38.18%
Best Match:
CHEMBL2326302

L: Fentanyl
CNR2_HUMAN

Docking Scores:
-9.18 -9.97
Similarity Score:
70.11%
Best Match:
CHEMBL2338188