anti-pain drug v2 #221 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Aspirin
CASP1_HUMAN

Docking Scores:
-4.81 -5.70 -4.75
Similarity Score:
39.20%
Best Match:
CHEMBL101145

L: Mesalazine
CASP1_HUMAN

Docking Scores:
-4.97 -5.38 -5.54
Similarity Score:
26.42%
Best Match:
CHEMBL597796

L: Sulfasalazine
CASP1_HUMAN

Docking Scores:
-7.91 -7.84 -7.29
Similarity Score:
34.62%
Best Match:
CHEMBL422849

L: Methotrimeprazine
CASP1_HUMAN

Docking Scores:
-5.35 -5.87 -4.95
Similarity Score:
32.79%
Best Match:
CHEMBL221870

L: Ketamine
CASP1_HUMAN

Docking Scores:
-5.98 -6.06 -4.75
Similarity Score:
48.96%
Best Match:
CHEMBL466565

L: Aspirin
CDK5_HUMAN

Docking Scores:
-6.17 -6.63 -6.92
Similarity Score:
36.19%
Best Match:
CHEMBL2007296

L: Mesalazine
CDK5_HUMAN

Docking Scores:
-5.81 -6.05 -6.45
Similarity Score:
42.86%
Best Match:
CHEMBL1986666

L: Sulfasalazine
CDK5_HUMAN

Docking Scores:
-8.09 -8.03 -9.16
Similarity Score:
40.88%
Best Match:
CHEMBL2004892

L: Methotrimeprazine
CDK5_HUMAN

Docking Scores:
-6.77 -7.69 -5.90
Similarity Score:
22.22%
Best Match:
CHEMBL1969843

L: Ketamine
CDK5_HUMAN

Docking Scores:
-6.50 -6.74 -6.29
Similarity Score:
37.07%
Best Match:
CHEMBL1982413

L: Aspirin
CHLE_HUMAN

Docking Scores:
-6.69 -6.27 -6.40
Similarity Score:
36.79%
Best Match:
CHEMBL544592

L: Mesalazine
CHLE_HUMAN

Docking Scores:
-6.04 -5.98 -6.16
Similarity Score:
32.69%
Best Match:
CHEMBL577112

L: Sulfasalazine
CHLE_HUMAN

Docking Scores:
-8.62 -8.90 -8.84
Similarity Score:
28.63%
Best Match:
CHEMBL3925612

L: Methotrimeprazine
CHLE_HUMAN

Docking Scores:
-7.54 -7.48 -7.81
Similarity Score:
37.88%
Best Match:
CHEMBL1783526

L: Ketamine
CHLE_HUMAN

Docking Scores:
-7.26 -6.93 -7.20
Similarity Score:
42.86%
Best Match:
CHEMBL174710

L: Aspirin
CNR1_HUMAN

Docking Scores:
-5.65 -6.37 -6.45
Similarity Score:
47.83%
Best Match:
CHEMBL243334

L: Mesalazine
CNR1_HUMAN

Docking Scores:
-4.87 -6.19 -6.09
Similarity Score:
38.81%
Best Match:
CHEMBL243334

L: Sulfasalazine
CNR1_HUMAN

Docking Scores:
-10.11 -10.90 -9.35
Similarity Score:
41.81%
Best Match:
CHEMBL247332

L: Methotrimeprazine
CNR1_HUMAN

Docking Scores:
-7.83 -7.87 -7.65
Similarity Score:
39.29%
Best Match:
CHEMBL1800731

L: Ketamine
CNR1_HUMAN

Docking Scores:
-7.99 -6.78 -7.30
Similarity Score:
56.44%
Best Match:
CHEMBL1095690