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
PGH2_HUMAN

Docking Scores:
-6.25 -6.61 -6.78
Similarity Score:
36.92%
Best Match:
CHEMBL52872

L: Dolutegravir
PGH2_HUMAN

Docking Scores:
-3.86 -7.07 -8.97
Similarity Score:
34.52%
Best Match:
CHEMBL4096865

L: Metolazone
PGH2_HUMAN

Docking Scores:
-3.65 -6.48 -7.76
Similarity Score:
39.44%
Best Match:
CHEMBL3322421

L: Bendroflumethiazide
PGH2_HUMAN

Docking Scores:
-5.88 -6.61 -7.48
Similarity Score:
35.19%
Best Match:
CHEMBL1766299

L: Hydralazine
PGH2_HUMAN

Docking Scores:
-7.61 -7.27 -7.08
Similarity Score:
28.09%
Best Match:
CHEMBL347198

L: Hydrochlorothiazide
PPAP_HUMAN

Docking Scores:
-8.66
Similarity Score:
11.51%
Best Match:
CHEMBL453954

L: Dolutegravir
PPAP_HUMAN

Docking Scores:
-8.91
Similarity Score:
16.47%
Best Match:
CHEMBL507996

L: Metolazone
PPAP_HUMAN

Docking Scores:
-8.61
Similarity Score:
19.76%
Best Match:
CHEMBL501717

L: Bendroflumethiazide
PPAP_HUMAN

Docking Scores:
-9.77
Similarity Score:
15.82%
Best Match:
CHEMBL501717

L: Hydralazine
PPAP_HUMAN

Docking Scores:
-7.40
Similarity Score:
12.39%
Best Match:
CHEMBL507996

L: Hydrochlorothiazide
PPARG_HUMAN

Docking Scores:
-7.16 -7.27 -6.44
Similarity Score:
40.46%
Best Match:
CHEMBL2338476

L: Dolutegravir
PPARG_HUMAN

Docking Scores:
-10.50 -9.33 -9.86
Similarity Score:
38.69%
Best Match:
CHEMBL238357

L: Metolazone
PPARG_HUMAN

Docking Scores:
-8.70 -8.18 -8.86
Similarity Score:
50.00%
Best Match:
CHEMBL496534

L: Bendroflumethiazide
PPARG_HUMAN

Docking Scores:
-8.62 -8.51 -8.92
Similarity Score:
39.00%
Best Match:
CHEMBL386307

L: Hydralazine
PPARG_HUMAN

Docking Scores:
-6.58 -6.87 -6.31
Similarity Score:
25.00%
Best Match:
CHEMBL202617

L: Hydrochlorothiazide
PRGR_HUMAN

Docking Scores:
-7.53 -7.38 -7.18
Similarity Score:
45.83%
Best Match:
CHEMBL3912431

L: Dolutegravir
PRGR_HUMAN

Docking Scores:
-2.85 -1.59 -6.19
Similarity Score:
38.91%
Best Match:
CHEMBL3315068

L: Metolazone
PRGR_HUMAN

Docking Scores:
-9.60 -8.73 -9.52
Similarity Score:
39.33%
Best Match:
CHEMBL486433

L: Bendroflumethiazide
PRGR_HUMAN

Docking Scores:
-7.72 -7.08 -9.40
Similarity Score:
44.00%
Best Match:
CHEMBL3094480

L: Hydralazine
PRGR_HUMAN

Docking Scores:
-6.88 -6.85 -6.98
Similarity Score:
26.97%
Best Match:
CHEMBL1672540