Anti-pain drug nv1 #225 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Icatibant
PDE4B_HUMAN

Docking Scores:
-7.93 -9.76 -2.29
Similarity Score:
36.65%
Best Match:
CHEMBL36318

L: Nefazodone
PDE4B_HUMAN

Docking Scores:
-8.83 -9.49 -9.49
Similarity Score:
33.33%
Best Match:
CHEMBL3644504

L: Balsalazide
PDE4B_HUMAN

Docking Scores:
-9.11 -8.80 -8.15
Similarity Score:
38.16%
Best Match:
CHEMBL239299

L: Alfentanil
PDE4B_HUMAN

Docking Scores:
-7.59 -8.23 -8.17
Similarity Score:
33.53%
Best Match:
CHEMBL239299

L: Carbamoylcholine
PDE4B_HUMAN

Docking Scores:
-4.30 -4.15 -4.31
Similarity Score:
21.00%
Best Match:
CHEMBL603830

L: Icatibant
PDE5A_HUMAN

Docking Scores:
-7.09 -8.38 -8.22
Similarity Score:
44.15%
Best Match:
CHEMBL335148

L: Nefazodone
PDE5A_HUMAN

Docking Scores:
-8.28 -9.52 -8.67
Similarity Score:
41.63%
Best Match:
CHEMBL46621

L: Balsalazide
PDE5A_HUMAN

Docking Scores:
-9.37 -9.27 -9.14
Similarity Score:
45.68%
Best Match:
CHEMBL35970

L: Alfentanil
PDE5A_HUMAN

Docking Scores:
-7.73 -8.27 -7.70
Similarity Score:
31.00%
Best Match:
CHEMBL551948

L: Carbamoylcholine
PDE5A_HUMAN

Docking Scores:
-4.41 -4.52 -4.35
Similarity Score:
14.15%
Best Match:
CHEMBL363889

L: Icatibant
PERM_HUMAN

Docking Scores:
-2.08 3.65 -8.10
Similarity Score:
26.21%
Best Match:
CHEMBL3740464

L: Nefazodone
PERM_HUMAN

Docking Scores:
-8.05 -8.32 -8.02
Similarity Score:
31.92%
Best Match:
CHEMBL2170247

L: Balsalazide
PERM_HUMAN

Docking Scores:
-8.09 -8.43 -7.78
Similarity Score:
37.98%
Best Match:
CHEMBL86

L: Alfentanil
PERM_HUMAN

Docking Scores:
-7.35 -7.35 -7.05
Similarity Score:
31.06%
Best Match:
CHEMBL1409565

L: Carbamoylcholine
PERM_HUMAN

Docking Scores:
-4.58 -4.72 -3.99
Similarity Score:
14.08%
Best Match:
CHEMBL686

L: Icatibant
PGH1_SHEEP

Docking Scores:
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Similarity Score:
?
Best Match:
?

L: Nefazodone
PGH1_SHEEP

Docking Scores:
-8.27 -9.04 -8.41
Similarity Score:
28.74%
Best Match:
CHEMBL3331465

L: Balsalazide
PGH1_SHEEP

Docking Scores:
-8.59 -8.52 -9.60
Similarity Score:
42.11%
Best Match:
CHEMBL151441

L: Alfentanil
PGH1_SHEEP

Docking Scores:
-6.34 -7.57 -6.88
Similarity Score:
29.63%
Best Match:
CHEMBL9197

L: Carbamoylcholine
PGH1_SHEEP

Docking Scores:
-4.27 -4.31 -4.30
Similarity Score:
19.59%
Best Match:
CHEMBL3809863