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
ADRB2_HUMAN

Docking Scores:
-7.04 -7.49 -8.28
Similarity Score:
40.14%
Best Match:
CHEMBL1598434

L: Dolutegravir
ADRB2_HUMAN

Docking Scores:
-9.45 -9.56 -11.09
Similarity Score:
40.82%
Best Match:
CHEMBL235612

L: Metolazone
ADRB2_HUMAN

Docking Scores:
-7.55 -7.64 -9.84
Similarity Score:
51.85%
Best Match:
CHEMBL1490889

L: Bendroflumethiazide
ADRB2_HUMAN

Docking Scores:
-8.06 -9.30 -9.98
Similarity Score:
48.62%
Best Match:
CHEMBL347582

L: Hydralazine
ADRB2_HUMAN

Docking Scores:
-7.24 -7.72 -7.82
Similarity Score:
32.54%
Best Match:
CHEMBL1383120

L: Hydrochlorothiazide
AGTR2_HUMAN

Docking Scores:
-6.90 -6.76 -6.38
Similarity Score:
26.13%
Best Match:
CHEMBL194608

L: Dolutegravir
AGTR2_HUMAN

Docking Scores:
-9.48 -10.60 -9.85
Similarity Score:
34.63%
Best Match:
CHEMBL2435821

L: Metolazone
AGTR2_HUMAN

Docking Scores:
-8.78 -8.97 -8.04
Similarity Score:
34.69%
Best Match:
CHEMBL263452

L: Bendroflumethiazide
AGTR2_HUMAN

Docking Scores:
-9.66 -9.77 -9.38
Similarity Score:
33.87%
Best Match:
CHEMBL263714

L: Hydralazine
AGTR2_HUMAN

Docking Scores:
-6.39 -6.31 -6.08
Similarity Score:
14.37%
Best Match:
CHEMBL288705

L: Hydrochlorothiazide
ALDR_HUMAN

Docking Scores:
-6.87 -6.82 -7.00
Similarity Score:
32.69%
Best Match:
CHEMBL240719

L: Dolutegravir
ALDR_HUMAN

Docking Scores:
-11.22 -11.71 -11.24
Similarity Score:
42.69%
Best Match:
CHEMBL334830

L: Metolazone
ALDR_HUMAN

Docking Scores:
-8.12 -8.70 -7.74
Similarity Score:
45.95%
Best Match:
CHEMBL291854

L: Bendroflumethiazide
ALDR_HUMAN

Docking Scores:
-9.76 -9.53 -9.30
Similarity Score:
50.90%
Best Match:
CHEMBL240719

L: Hydralazine
ALDR_HUMAN

Docking Scores:
-7.98 -7.98 -7.62
Similarity Score:
27.84%
Best Match:
CHEMBL369911

L: Hydrochlorothiazide
AMPN_HUMAN

Docking Scores:
-7.24 -7.73 -7.35
Similarity Score:
21.19%
Best Match:
CHEMBL328470

L: Dolutegravir
AMPN_HUMAN

Docking Scores:
-10.19 -10.63 -10.03
Similarity Score:
35.92%
Best Match:
CHEMBL1077583

L: Metolazone
AMPN_HUMAN

Docking Scores:
-8.66 -8.42 -8.53
Similarity Score:
32.12%
Best Match:
CHEMBL2332526

L: Bendroflumethiazide
AMPN_HUMAN

Docking Scores:
-9.48 -9.77 -9.22
Similarity Score:
24.49%
Best Match:
CHEMBL1077591

L: Hydralazine
AMPN_HUMAN

Docking Scores:
-6.65 -7.46 -7.26
Similarity Score:
18.26%
Best Match:
CHEMBL328470