LTJv1 #74 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Oxycodone
CASP1_HUMAN

Docking Scores:
-7.33 -7.41 -6.28
Similarity Score:
45.00%
Best Match:
CHEMBL2371932

L: Morphine
CASP1_HUMAN

Docking Scores:
-6.83 -7.27 -7.14
Similarity Score:
34.62%
Best Match:
CHEMBL3898379

L: Methadone
CASP1_HUMAN

Docking Scores:
-5.34 -6.87 -5.43
Similarity Score:
57.50%
Best Match:
CHEMBL466565

L: Pethidine
CASP1_HUMAN

Docking Scores:
-5.35 -6.55 -5.21
Similarity Score:
53.85%
Best Match:
CHEMBL466565

L: Fentanyl
CASP1_HUMAN

Docking Scores:
-6.46 -6.95 -6.03
Similarity Score:
46.88%
Best Match:
CHEMBL1221597

L: Oxycodone
CDK5_HUMAN

Docking Scores:
-7.89 -7.65 -5.47
Similarity Score:
33.04%
Best Match:
CHEMBL422897

L: Morphine
CDK5_HUMAN

Docking Scores:
-6.31 -6.75 -5.24
Similarity Score:
29.55%
Best Match:
CHEMBL422897

L: Methadone
CDK5_HUMAN

Docking Scores:
-6.37 -7.20 -5.95
Similarity Score:
52.56%
Best Match:
CHEMBL1988201

L: Pethidine
CDK5_HUMAN

Docking Scores:
-6.47 -7.02 -6.69
Similarity Score:
35.71%
Best Match:
CHEMBL1988201

L: Fentanyl
CDK5_HUMAN

Docking Scores:
-7.76 -7.70 -7.16
Similarity Score:
43.33%
Best Match:
CHEMBL1998121

L: Oxycodone
CHLE_HUMAN

Docking Scores:
-9.35 -9.12 -9.35
Similarity Score:
46.43%
Best Match:
CHEMBL3410956

L: Morphine
CHLE_HUMAN

Docking Scores:
-9.67 -9.79 -10.03
Similarity Score:
43.52%
Best Match:
CHEMBL366411

L: Methadone
CHLE_HUMAN

Docking Scores:
-8.32 -8.14 -8.01
Similarity Score:
40.62%
Best Match:
CHEMBL3818250

L: Pethidine
CHLE_HUMAN

Docking Scores:
-6.93 -7.66 -7.04
Similarity Score:
47.92%
Best Match:
CHEMBL229105

L: Fentanyl
CHLE_HUMAN

Docking Scores:
-8.47 -8.99 -9.56
Similarity Score:
52.63%
Best Match:
CHEMBL4077192

L: Oxycodone
CNR1_HUMAN

Docking Scores:
-7.59 -8.42 -8.55
Similarity Score:
53.46%
Best Match:
CHEMBL228349

L: Morphine
CNR1_HUMAN

Docking Scores:
-8.84 -8.17 -8.42
Similarity Score:
56.82%
Best Match:
CHEMBL303479

L: Methadone
CNR1_HUMAN

Docking Scores:
-7.65 -7.54 -8.00
Similarity Score:
61.76%
Best Match:
CHEMBL502133

L: Pethidine
CNR1_HUMAN

Docking Scores:
-6.91 -7.66 -7.86
Similarity Score:
49.40%
Best Match:
CHEMBL502133

L: Fentanyl
CNR1_HUMAN

Docking Scores:
-8.98 -9.23 -9.76
Similarity Score:
55.95%
Best Match:
CHEMBL479095