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
CASP1_HUMAN

Docking Scores:
-5.56 -5.91 -6.21
Similarity Score:
27.45%
Best Match:
CHEMBL3133256

L: Dolutegravir
CASP1_HUMAN

Docking Scores:
-8.18 -8.48 -7.91
Similarity Score:
43.18%
Best Match:
CHEMBL468641

L: Metolazone
CASP1_HUMAN

Docking Scores:
-6.44 -7.52 -6.95
Similarity Score:
47.06%
Best Match:
CHEMBL3133256

L: Bendroflumethiazide
CASP1_HUMAN

Docking Scores:
-7.31 -7.82 -7.68
Similarity Score:
38.64%
Best Match:
CHEMBL2381345

L: Hydralazine
CASP1_HUMAN

Docking Scores:
-5.92 -6.75 -5.72
Similarity Score:
19.40%
Best Match:
CHEMBL1221744

L: Hydrochlorothiazide
CDK5_HUMAN

Docking Scores:
-7.37 -7.67 -7.39
Similarity Score:
34.59%
Best Match:
CHEMBL1967612

L: Dolutegravir
CDK5_HUMAN

Docking Scores:
-9.09 -9.03 -9.57
Similarity Score:
38.24%
Best Match:
CHEMBL1982506

L: Metolazone
CDK5_HUMAN

Docking Scores:
-8.20 -8.23 -6.72
Similarity Score:
42.41%
Best Match:
CHEMBL1981782

L: Bendroflumethiazide
CDK5_HUMAN

Docking Scores:
-9.61 -9.56 -8.54
Similarity Score:
33.00%
Best Match:
CHEMBL1967544

L: Hydralazine
CDK5_HUMAN

Docking Scores:
-6.92 -7.01 -7.89
Similarity Score:
50.00%
Best Match:
CHEMBL1971519

L: Hydrochlorothiazide
CHLE_HUMAN

Docking Scores:
-7.94 -8.25 -8.21
Similarity Score:
28.78%
Best Match:
CHEMBL601282

L: Dolutegravir
CHLE_HUMAN

Docking Scores:
-10.04 -9.67 -10.32
Similarity Score:
35.54%
Best Match:
CHEMBL3628054

L: Metolazone
CHLE_HUMAN

Docking Scores:
-8.95 -8.98 -9.20
Similarity Score:
37.65%
Best Match:
CHEMBL592673

L: Bendroflumethiazide
CHLE_HUMAN

Docking Scores:
-9.66 -9.92 -10.07
Similarity Score:
30.90%
Best Match:
CHEMBL602314

L: Hydralazine
CHLE_HUMAN

Docking Scores:
-7.14 -7.03 -7.14
Similarity Score:
41.67%
Best Match:
CHEMBL1202884

L: Hydrochlorothiazide
CNR1_HUMAN

Docking Scores:
-5.90 -7.75 -7.94
Similarity Score:
44.80%
Best Match:
CHEMBL2336561

L: Dolutegravir
CNR1_HUMAN

Docking Scores:
-9.54 -10.34 -10.22
Similarity Score:
49.21%
Best Match:
CHEMBL2163946

L: Metolazone
CNR1_HUMAN

Docking Scores:
-7.65 -8.79 -9.63
Similarity Score:
55.29%
Best Match:
CHEMBL246302

L: Bendroflumethiazide
CNR1_HUMAN

Docking Scores:
-7.69 -10.32 -8.76
Similarity Score:
57.62%
Best Match:
CHEMBL3975498

L: Hydralazine
CNR1_HUMAN

Docking Scores:
-6.33 -6.49 -7.21
Similarity Score:
33.33%
Best Match:
CHEMBL472897