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
AA1R_HUMAN

Docking Scores:
-6.27 -6.73 -7.06
Similarity Score:
23.91%
Best Match:
CHEMBL608980

L: Dolutegravir
AA1R_HUMAN

Docking Scores:
-9.81 -9.40 -9.13
Similarity Score:
38.40%
Best Match:
CHEMBL3765424

L: Metolazone
AA1R_HUMAN

Docking Scores:
-7.99 -8.35 -8.64
Similarity Score:
36.73%
Best Match:
CHEMBL608980

L: Bendroflumethiazide
AA1R_HUMAN

Docking Scores:
-9.23 -9.41 -9.19
Similarity Score:
36.06%
Best Match:
CHEMBL210585

L: Hydralazine
AA1R_HUMAN

Docking Scores:
-6.14 -6.56 -7.10
Similarity Score:
34.31%
Best Match:
CHEMBL320805

L: Hydrochlorothiazide
AA2AR_HUMAN

Docking Scores:
-6.53 -6.43 -7.08
Similarity Score:
29.44%
Best Match:
CHEMBL483487

L: Dolutegravir
AA2AR_HUMAN

Docking Scores:
-9.89 -9.70 -10.46
Similarity Score:
40.52%
Best Match:
CHEMBL196665

L: Metolazone
AA2AR_HUMAN

Docking Scores:
-7.88 -7.57 -9.77
Similarity Score:
36.73%
Best Match:
CHEMBL608980

L: Bendroflumethiazide
AA2AR_HUMAN

Docking Scores:
-8.46 -8.69 -9.76
Similarity Score:
36.06%
Best Match:
CHEMBL210585

L: Hydralazine
AA2AR_HUMAN

Docking Scores:
-6.28 -6.67 -7.05
Similarity Score:
34.31%
Best Match:
CHEMBL320805

L: Hydrochlorothiazide
ACES_HUMAN

Docking Scores:
-8.39 -8.40 -9.31
Similarity Score:
37.50%
Best Match:
CHEMBL573102

L: Dolutegravir
ACES_HUMAN

Docking Scores:
-10.96 -10.97 -8.41
Similarity Score:
40.17%
Best Match:
CHEMBL140106

L: Metolazone
ACES_HUMAN

Docking Scores:
-10.28 -9.49 -8.28
Similarity Score:
49.01%
Best Match:
CHEMBL141810

L: Bendroflumethiazide
ACES_HUMAN

Docking Scores:
-10.29 -11.12 -8.50
Similarity Score:
38.56%
Best Match:
CHEMBL575621

L: Hydralazine
ACES_HUMAN

Docking Scores:
-7.56 -7.35 -8.20
Similarity Score:
41.67%
Best Match:
CHEMBL1202884

L: Hydrochlorothiazide
ACE_HUMAN

Docking Scores:
-7.42 -7.19 -6.82
Similarity Score:
24.87%
Best Match:
CHEMBL514138

L: Dolutegravir
ACE_HUMAN

Docking Scores:
-10.54 -10.25 -9.04
Similarity Score:
30.86%
Best Match:
CHEMBL2435340

L: Metolazone
ACE_HUMAN

Docking Scores:
-8.65 -8.34 -8.09
Similarity Score:
33.52%
Best Match:
CHEMBL2435340

L: Bendroflumethiazide
ACE_HUMAN

Docking Scores:
-9.52 -9.83 -8.64
Similarity Score:
27.73%
Best Match:
CHEMBL514138

L: Hydralazine
ACE_HUMAN

Docking Scores:
-6.50 -6.65 -6.46
Similarity Score:
19.18%
Best Match:
CHEMBL3414811