Non anti-pain drug nv2 #224 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Hydrochlorothiazide
CNR2_HUMAN

Docking Scores:
-7.92 -7.45
Similarity Score:
44.80%
Best Match:
CHEMBL2336561

L: Dolutegravir
CNR2_HUMAN

Docking Scores:
-10.28 -11.12
Similarity Score:
49.38%
Best Match:
CHEMBL3409320

L: Metolazone
CNR2_HUMAN

Docking Scores:
-9.45 -9.56
Similarity Score:
55.90%
Best Match:
CHEMBL253462

L: Bendroflumethiazide
CNR2_HUMAN

Docking Scores:
-10.13 -10.36
Similarity Score:
58.39%
Best Match:
CHEMBL3920211

L: Hydralazine
CNR2_HUMAN

Docking Scores:
-6.91 -6.94
Similarity Score:
32.99%
Best Match:
CHEMBL3421694

L: Hydrochlorothiazide
COLI_HUMAN

Docking Scores:
-8.08 -7.31 -6.75
Similarity Score:
N/A
Best Match:
N/A

L: Dolutegravir
COLI_HUMAN

Docking Scores:
-10.00 -9.98 -9.09
Similarity Score:
N/A
Best Match:
N/A

L: Metolazone
COLI_HUMAN

Docking Scores:
-8.58 -8.71 -7.60
Similarity Score:
N/A
Best Match:
N/A

L: Bendroflumethiazide
COLI_HUMAN

Docking Scores:
-9.14 -8.81 -8.39
Similarity Score:
N/A
Best Match:
N/A

L: Hydralazine
COLI_HUMAN

Docking Scores:
-7.22 -7.17 -6.43
Similarity Score:
N/A
Best Match:
N/A

L: Hydrochlorothiazide
COMT_HUMAN

Docking Scores:
-4.73 -5.14 -4.60
Similarity Score:
20.00%
Best Match:
CHEMBL3798524

L: Dolutegravir
COMT_HUMAN

Docking Scores:
-7.20 -7.12 -7.24
Similarity Score:
31.80%
Best Match:
CHEMBL3799623

L: Metolazone
COMT_HUMAN

Docking Scores:
-7.60 -6.79 -7.24
Similarity Score:
24.42%
Best Match:
CHEMBL3818719

L: Bendroflumethiazide
COMT_HUMAN

Docking Scores:
-6.80 -6.32 -6.77
Similarity Score:
21.00%
Best Match:
CHEMBL3425737

L: Hydralazine
COMT_HUMAN

Docking Scores:
-6.43 -5.88 -6.56
Similarity Score:
33.70%
Best Match:
CHEMBL3797305

L: Hydrochlorothiazide
CRP_HUMAN

Docking Scores:
-5.23 -5.64
Similarity Score:
N/A
Best Match:
N/A

L: Dolutegravir
CRP_HUMAN

Docking Scores:
-7.69 -7.15
Similarity Score:
N/A
Best Match:
N/A

L: Metolazone
CRP_HUMAN

Docking Scores:
-6.43 -6.49
Similarity Score:
N/A
Best Match:
N/A

L: Bendroflumethiazide
CRP_HUMAN

Docking Scores:
-6.64 -6.68
Similarity Score:
N/A
Best Match:
N/A

L: Hydralazine
CRP_HUMAN

Docking Scores:
-5.33 -6.00
Similarity Score:
N/A
Best Match:
N/A