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
CASP1_HUMAN

Docking Scores:
-7.25 -7.37 -6.02
Similarity Score:
51.09%
Best Match:
CHEMBL59362

L: Nefazodone
CASP1_HUMAN

Docking Scores:
-6.17 -7.86 -6.81
Similarity Score:
32.55%
Best Match:
CHEMBL26302

L: Balsalazide
CASP1_HUMAN

Docking Scores:
-6.99 -6.90 -6.83
Similarity Score:
48.78%
Best Match:
CHEMBL597796

L: Alfentanil
CASP1_HUMAN

Docking Scores:
-5.81 -6.47 -5.96
Similarity Score:
42.21%
Best Match:
CHEMBL322631

L: Carbamoylcholine
CASP1_HUMAN

Docking Scores:
-3.58 -3.77 -4.28
Similarity Score:
19.80%
Best Match:
CHEMBL430648

L: Icatibant
CDK5_HUMAN

Docking Scores:
-6.23 -5.70 4.27
Similarity Score:
33.46%
Best Match:
CHEMBL1983111

L: Nefazodone
CDK5_HUMAN

Docking Scores:
-8.17 -8.03 -8.51
Similarity Score:
32.23%
Best Match:
CHEMBL1976040

L: Balsalazide
CDK5_HUMAN

Docking Scores:
-7.68 -7.57 -8.85
Similarity Score:
42.62%
Best Match:
CHEMBL1988141

L: Alfentanil
CDK5_HUMAN

Docking Scores:
-6.72 -6.46 -6.64
Similarity Score:
30.00%
Best Match:
CHEMBL1988141

L: Carbamoylcholine
CDK5_HUMAN

Docking Scores:
-4.33 -4.22 -4.36
Similarity Score:
17.44%
Best Match:
CHEMBL1974288

L: Icatibant
CHLE_HUMAN

Docking Scores:
? ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
CHLE_HUMAN

Docking Scores:
-9.59 -9.64 -9.93
Similarity Score:
34.25%
Best Match:
CHEMBL3632988

L: Balsalazide
CHLE_HUMAN

Docking Scores:
-8.14 -7.83 -7.95
Similarity Score:
41.22%
Best Match:
CHEMBL544592

L: Alfentanil
CHLE_HUMAN

Docking Scores:
-7.91 -8.44 -7.94
Similarity Score:
38.06%
Best Match:
CHEMBL4060562

L: Carbamoylcholine
CHLE_HUMAN

Docking Scores:
-4.28 -4.36 -4.60
Similarity Score:
28.41%
Best Match:
CHEMBL480176

L: Icatibant
CNR1_HUMAN

Docking Scores:
-6.75 -3.75 -2.86
Similarity Score:
47.46%
Best Match:
CHEMBL562123

L: Nefazodone
CNR1_HUMAN

Docking Scores:
-7.50 -9.72 -10.78
Similarity Score:
41.54%
Best Match:
CHEMBL3798331

L: Balsalazide
CNR1_HUMAN

Docking Scores:
-7.93 -9.62 -9.18
Similarity Score:
43.61%
Best Match:
CHEMBL1765259

L: Alfentanil
CNR1_HUMAN

Docking Scores:
-7.72 -9.03 -8.12
Similarity Score:
39.57%
Best Match:
CHEMBL199873

L: Carbamoylcholine
CNR1_HUMAN

Docking Scores:
-4.73 -4.83 -4.54
Similarity Score:
25.00%
Best Match:
CHEMBL175247