Non anti-pain drug nv2 #224 Output Download CSV

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

Docking Scores:
-7.37 -7.79 -7.80
Similarity Score:
23.48%
Best Match:
CHEMBL828

L: Dolutegravir
AOFA_HUMAN

Docking Scores:
-11.14 -11.59 -12.90
Similarity Score:
37.40%
Best Match:
CHEMBL3407582

L: Metolazone
AOFA_HUMAN

Docking Scores:
-9.88 -10.50 -9.94
Similarity Score:
38.32%
Best Match:
CHEMBL3319257

L: Bendroflumethiazide
AOFA_HUMAN

Docking Scores:
-10.58 -9.86 -9.59
Similarity Score:
25.29%
Best Match:
CHEMBL3416434

L: Hydralazine
AOFA_HUMAN

Docking Scores:
-7.67 -7.28 -8.02
Similarity Score:
30.95%
Best Match:
CHEMBL258420

L: Hydrochlorothiazide
AOFB_HUMAN

Docking Scores:
-7.98 -8.02 -8.24
Similarity Score:
26.21%
Best Match:
CHEMBL3319259

L: Dolutegravir
AOFB_HUMAN

Docking Scores:
-10.78 -11.34 -10.91
Similarity Score:
37.40%
Best Match:
CHEMBL3407582

L: Metolazone
AOFB_HUMAN

Docking Scores:
-10.24 -10.59 -10.71
Similarity Score:
40.13%
Best Match:
CHEMBL3319251

L: Bendroflumethiazide
AOFB_HUMAN

Docking Scores:
-9.95 -10.36 -9.42
Similarity Score:
27.78%
Best Match:
CHEMBL3319243

L: Hydralazine
AOFB_HUMAN

Docking Scores:
-7.41 -7.47 -7.20
Similarity Score:
36.67%
Best Match:
CHEMBL3319272

L: Hydrochlorothiazide
BACE1_HUMAN

Docking Scores:
-5.98 -6.41 -6.93
Similarity Score:
23.97%
Best Match:
CHEMBL3354257

L: Dolutegravir
BACE1_HUMAN

Docking Scores:
-8.87 -8.61 -9.95
Similarity Score:
42.71%
Best Match:
CHEMBL253865

L: Metolazone
BACE1_HUMAN

Docking Scores:
-7.33 -7.58 -8.94
Similarity Score:
48.75%
Best Match:
CHEMBL190644

L: Bendroflumethiazide
BACE1_HUMAN

Docking Scores:
-7.75 -7.98 -9.02
Similarity Score:
33.47%
Best Match:
CHEMBL1097346

L: Hydralazine
BACE1_HUMAN

Docking Scores:
-5.61 -6.44 -7.03
Similarity Score:
31.34%
Best Match:
CHEMBL2059101

L: Hydrochlorothiazide
CAH2_HUMAN

Docking Scores:
-7.46 -7.22 -7.26
Similarity Score:
100.00%
Best Match:
CHEMBL435

L: Dolutegravir
CAH2_HUMAN

Docking Scores:
-8.74 -9.33 -9.48
Similarity Score:
41.16%
Best Match:
CHEMBL217232

L: Metolazone
CAH2_HUMAN

Docking Scores:
-8.29 -8.07 -8.05
Similarity Score:
69.40%
Best Match:
CHEMBL295343

L: Bendroflumethiazide
CAH2_HUMAN

Docking Scores:
-8.79 -8.57 -8.40
Similarity Score:
58.39%
Best Match:
CHEMBL1054

L: Hydralazine
CAH2_HUMAN

Docking Scores:
-6.72 -6.62 -6.44
Similarity Score:
31.25%
Best Match:
CHEMBL2336906