Non anti-pain #217 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Zanamivir
CASP1_HUMAN

Docking Scores:
-6.11 -6.33 -5.80
Similarity Score:
46.46%
Best Match:
CHEMBL466747

L: Laninamivir
CASP1_HUMAN

Docking Scores:
-5.82 -6.00 -5.81
Similarity Score:
46.38%
Best Match:
CHEMBL466747

L: Oseltamivir
CASP1_HUMAN

Docking Scores:
-5.17 -6.16 -5.31
Similarity Score:
45.56%
Best Match:
CHEMBL200819

L: Peramivir
CASP1_HUMAN

Docking Scores:
-5.56 -5.68 -5.82
Similarity Score:
46.39%
Best Match:
CHEMBL466565

L: Baloxavir
CASP1_HUMAN

Docking Scores:
-6.55 -7.58 -7.09
Similarity Score:
32.29%
Best Match:
CHEMBL437526

L: Zanamivir
CDK5_HUMAN

Docking Scores:
-5.70 -6.20 -5.49
Similarity Score:
26.83%
Best Match:
CHEMBL1980995

L: Laninamivir
CDK5_HUMAN

Docking Scores:
-5.46 -5.97 -4.85
Similarity Score:
29.48%
Best Match:
CHEMBL1980995

L: Oseltamivir
CDK5_HUMAN

Docking Scores:
-6.57 -6.61 -6.18
Similarity Score:
28.00%
Best Match:
CHEMBL1967878

L: Peramivir
CDK5_HUMAN

Docking Scores:
-6.94 -8.10 -7.70
Similarity Score:
26.26%
Best Match:
CHEMBL1994526

L: Baloxavir
CDK5_HUMAN

Docking Scores:
-6.87 -6.91 -5.91
Similarity Score:
33.59%
Best Match:
CHEMBL178737

L: Zanamivir
CHLE_HUMAN

Docking Scores:
-7.71 -7.33 -7.81
Similarity Score:
32.58%
Best Match:
CHEMBL504924

L: Laninamivir
CHLE_HUMAN

Docking Scores:
-7.61 -7.31 -7.96
Similarity Score:
33.16%
Best Match:
CHEMBL504924

L: Oseltamivir
CHLE_HUMAN

Docking Scores:
-7.52 -7.32 -7.80
Similarity Score:
46.46%
Best Match:
CHEMBL504924

L: Peramivir
CHLE_HUMAN

Docking Scores:
-7.66 -7.66 -7.78
Similarity Score:
46.67%
Best Match:
CHEMBL1512936

L: Baloxavir
CHLE_HUMAN

Docking Scores:
-11.29 -11.49 -10.78
Similarity Score:
31.84%
Best Match:
CHEMBL2019035

L: Zanamivir
CNR1_HUMAN

Docking Scores:
-7.15 -6.82 -6.92
Similarity Score:
32.40%
Best Match:
CHEMBL3597330

L: Laninamivir
CNR1_HUMAN

Docking Scores:
-5.90 -6.91 -7.05
Similarity Score:
32.14%
Best Match:
CHEMBL1800731

L: Oseltamivir
CNR1_HUMAN

Docking Scores:
-5.75 -7.54 -7.99
Similarity Score:
47.24%
Best Match:
CHEMBL3597330

L: Peramivir
CNR1_HUMAN

Docking Scores:
-7.00 -7.00 -7.58
Similarity Score:
50.00%
Best Match:
CHEMBL483143

L: Baloxavir
CNR1_HUMAN

Docking Scores:
-5.81 -8.27 -6.57
Similarity Score:
37.13%
Best Match:
CHEMBL66956