test4 #299 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Morphine
HPGDS_HUMAN

Docking Scores:
-8.32 -6.91 -7.05
Similarity Score:
23.72%
Best Match:
CHEMBL3698265

L: Acetaminophen
HPGDS_HUMAN

Docking Scores:
-5.40 -5.76 -6.36
Similarity Score:
28.69%
Best Match:
CHEMBL2035649

L: Diclophenac
HPGDS_HUMAN

Docking Scores:
-7.28 -6.68 -7.62
Similarity Score:
30.18%
Best Match:
CHEMBL572528

L: Fentanyl
HPGDS_HUMAN

Docking Scores:
-7.25 -7.69 -7.23
Similarity Score:
45.24%
Best Match:
CHEMBL3425957

L: Morphine
HRH1_HUMAN

Docking Scores:
-7.76
Similarity Score:
45.25%
Best Match:
CHEMBL476839

L: Acetaminophen
HRH1_HUMAN

Docking Scores:
-6.90
Similarity Score:
40.58%
Best Match:
CHEMBL1940414

L: Diclophenac
HRH1_HUMAN

Docking Scores:
-8.69
Similarity Score:
47.06%
Best Match:
CHEMBL2158825

L: Fentanyl
HRH1_HUMAN

Docking Scores:
-8.53
Similarity Score:
61.82%
Best Match:
CHEMBL1242923

L: Morphine
HYES_HUMAN

Docking Scores:
-8.99 -8.94 -7.90
Similarity Score:
42.70%
Best Match:
CHEMBL1672128

L: Acetaminophen
HYES_HUMAN

Docking Scores:
-6.17 -6.04 -5.88
Similarity Score:
54.24%
Best Match:
CHEMBL2031937

L: Diclophenac
HYES_HUMAN

Docking Scores:
-8.00 -8.24 -6.89
Similarity Score:
37.61%
Best Match:
CHEMBL478147

L: Fentanyl
HYES_HUMAN

Docking Scores:
-8.50 -8.26 -8.71
Similarity Score:
68.18%
Best Match:
CHEMBL1672132

L: Morphine
IKKB_HUMAN

Docking Scores:
-8.91
Similarity Score:
31.51%
Best Match:
CHEMBL1672879

L: Acetaminophen
IKKB_HUMAN

Docking Scores:
-5.87
Similarity Score:
35.85%
Best Match:
CHEMBL1725279

L: Diclophenac
IKKB_HUMAN

Docking Scores:
-7.95
Similarity Score:
29.66%
Best Match:
CHEMBL3823257

L: Fentanyl
IKKB_HUMAN

Docking Scores:
-8.28
Similarity Score:
40.91%
Best Match:
CHEMBL3823257

L: Morphine
MDR1_HUMAN

Docking Scores:
-8.28 -8.43
Similarity Score:
100.00%
Best Match:
CHEMBL70

L: Acetaminophen
MDR1_HUMAN

Docking Scores:
-5.31 -6.00
Similarity Score:
37.66%
Best Match:
CHEMBL311469

L: Diclophenac
MDR1_HUMAN

Docking Scores:
-7.33 -7.51
Similarity Score:
41.05%
Best Match:
CHEMBL72

L: Fentanyl
MDR1_HUMAN

Docking Scores:
-7.93 -8.39
Similarity Score:
46.34%
Best Match:
CHEMBL2398178