LTJv1 #74 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Oxycodone
AA1R_HUMAN

Docking Scores:
-8.75 -8.51 -6.84
Similarity Score:
35.88%
Best Match:
CHEMBL1544

L: Morphine
AA1R_HUMAN

Docking Scores:
-7.48 -8.06 -4.86
Similarity Score:
29.96%
Best Match:
CHEMBL3317575

L: Methadone
AA1R_HUMAN

Docking Scores:
-8.02 -7.76 -7.12
Similarity Score:
34.55%
Best Match:
CHEMBL2435536

L: Pethidine
AA1R_HUMAN

Docking Scores:
-7.17 -6.99 -7.16
Similarity Score:
34.23%
Best Match:
CHEMBL1544

L: Fentanyl
AA1R_HUMAN

Docking Scores:
-8.66 -8.83 -7.66
Similarity Score:
36.02%
Best Match:
CHEMBL1095812

L: Oxycodone
AA2AR_HUMAN

Docking Scores:
-7.44 -7.35 -9.34
Similarity Score:
42.25%
Best Match:
CHEMBL541219

L: Morphine
AA2AR_HUMAN

Docking Scores:
-8.43 -9.22 -10.22
Similarity Score:
34.24%
Best Match:
CHEMBL559023

L: Methadone
AA2AR_HUMAN

Docking Scores:
-7.03 -8.59 -9.17
Similarity Score:
34.35%
Best Match:
CHEMBL539454

L: Pethidine
AA2AR_HUMAN

Docking Scores:
-7.26 -7.19 -7.94
Similarity Score:
34.21%
Best Match:
CHEMBL3350613

L: Fentanyl
AA2AR_HUMAN

Docking Scores:
-7.45 -8.09 -8.77
Similarity Score:
47.29%
Best Match:
CHEMBL539454

L: Oxycodone
ACES_HUMAN

Docking Scores:
-9.80 -9.61 -8.26
Similarity Score:
64.71%
Best Match:
CHEMBL3764305

L: Morphine
ACES_HUMAN

Docking Scores:
-9.83 -8.98 -9.46
Similarity Score:
66.01%
Best Match:
CHEMBL569978

L: Methadone
ACES_HUMAN

Docking Scores:
-8.81 -7.99 -9.29
Similarity Score:
56.76%
Best Match:
CHEMBL1082433

L: Pethidine
ACES_HUMAN

Docking Scores:
-7.95 -6.78 -8.53
Similarity Score:
48.86%
Best Match:
CHEMBL156763

L: Fentanyl
ACES_HUMAN

Docking Scores:
-9.87 -9.06 -7.24
Similarity Score:
65.43%
Best Match:
CHEMBL141853

L: Oxycodone
ACE_HUMAN

Docking Scores:
-8.57 -8.46 -7.63
Similarity Score:
46.15%
Best Match:
CHEMBL58042

L: Morphine
ACE_HUMAN

Docking Scores:
-8.51 -8.63 -7.98
Similarity Score:
37.12%
Best Match:
CHEMBL1165

L: Methadone
ACE_HUMAN

Docking Scores:
-7.30 -7.61 -7.03
Similarity Score:
49.45%
Best Match:
CHEMBL86915

L: Pethidine
ACE_HUMAN

Docking Scores:
-6.66 -6.45 -6.57
Similarity Score:
49.07%
Best Match:
CHEMBL578

L: Fentanyl
ACE_HUMAN

Docking Scores:
-8.15 -8.40 -6.98
Similarity Score:
50.00%
Best Match:
CHEMBL98