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
MDR1_HUMAN

Docking Scores:
-6.89 -7.02
Similarity Score:
50.93%
Best Match:
CHEMBL498

L: Dolutegravir
MDR1_HUMAN

Docking Scores:
-9.50 -9.90
Similarity Score:
41.58%
Best Match:
CHEMBL1256399

L: Metolazone
MDR1_HUMAN

Docking Scores:
-8.12 -8.73
Similarity Score:
67.36%
Best Match:
CHEMBL376721

L: Bendroflumethiazide
MDR1_HUMAN

Docking Scores:
-9.20 -9.73
Similarity Score:
35.50%
Best Match:
CHEMBL472

L: Hydralazine
MDR1_HUMAN

Docking Scores:
-6.79 -7.23
Similarity Score:
29.09%
Best Match:
CHEMBL2391709

L: Hydrochlorothiazide
MIF_HUMAN

Docking Scores:
-4.93 -5.56 -4.98
Similarity Score:
23.53%
Best Match:
CHEMBL3409229

L: Dolutegravir
MIF_HUMAN

Docking Scores:
-7.59 -7.81 -6.81
Similarity Score:
28.21%
Best Match:
CHEMBL554271

L: Metolazone
MIF_HUMAN

Docking Scores:
-5.39 -6.29 -6.23
Similarity Score:
35.12%
Best Match:
CHEMBL1604170

L: Bendroflumethiazide
MIF_HUMAN

Docking Scores:
-6.99 -8.11 -6.88
Similarity Score:
23.87%
Best Match:
CHEMBL3409229

L: Hydralazine
MIF_HUMAN

Docking Scores:
-5.72 -6.79 -5.41
Similarity Score:
33.75%
Best Match:
CHEMBL224086

L: Hydrochlorothiazide
MK01_HUMAN

Docking Scores:
-6.78 -6.55 -6.04
Similarity Score:
31.98%
Best Match:
CHEMBL1993661

L: Dolutegravir
MK01_HUMAN

Docking Scores:
-9.56 -9.40 -9.26
Similarity Score:
45.33%
Best Match:
CHEMBL3608591

L: Metolazone
MK01_HUMAN

Docking Scores:
-7.39 -8.48 -7.40
Similarity Score:
42.41%
Best Match:
CHEMBL1981782

L: Bendroflumethiazide
MK01_HUMAN

Docking Scores:
-8.98 -8.89 -8.38
Similarity Score:
33.00%
Best Match:
CHEMBL1967544

L: Hydralazine
MK01_HUMAN

Docking Scores:
-6.53 -7.05 -7.13
Similarity Score:
34.29%
Best Match:
CHEMBL86754

L: Hydrochlorothiazide
MK03_HUMAN

Docking Scores:
-7.87 -6.98 -6.81
Similarity Score:
20.86%
Best Match:
CHEMBL3799716

L: Dolutegravir
MK03_HUMAN

Docking Scores:
-10.52 -10.51 -9.56
Similarity Score:
31.64%
Best Match:
CHEMBL1336

L: Metolazone
MK03_HUMAN

Docking Scores:
-7.00 -8.42 -7.71
Similarity Score:
36.56%
Best Match:
CHEMBL1336

L: Bendroflumethiazide
MK03_HUMAN

Docking Scores:
-9.52 -9.13 -8.50
Similarity Score:
24.81%
Best Match:
CHEMBL554497

L: Hydralazine
MK03_HUMAN

Docking Scores:
-6.76 -6.75 -6.85
Similarity Score:
28.70%
Best Match:
CHEMBL3798109