LTJ #73 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Dihydrocodeine
NMDE2_HUMAN

Docking Scores:
-7.55 -9.53 -6.84
Similarity Score:
50.38%
Best Match:
CHEMBL3357784

L: Acetylsalicylic acid
NMDE2_HUMAN

Docking Scores:
-6.83 -6.61 -7.18
Similarity Score:
32.14%
Best Match:
CHEMBL161421

L: Hydromorphone
NMDE2_HUMAN

Docking Scores:
-7.93 -9.66 -6.43
Similarity Score:
47.10%
Best Match:
CHEMBL3357784

L: Ibuprofen
NMDE2_HUMAN

Docking Scores:
-8.30 -8.29 -8.32
Similarity Score:
33.78%
Best Match:
CHEMBL305187

L: Codeine
NMDE2_HUMAN

Docking Scores:
-7.82 -8.60 -6.54
Similarity Score:
40.00%
Best Match:
CHEMBL3357783

L: Dihydrocodeine
NMDZ1_HUMAN

Docking Scores:
-7.67 -7.70 -7.76
Similarity Score:
23.78%
Best Match:
CHEMBL419399

L: Acetylsalicylic acid
NMDZ1_HUMAN

Docking Scores:
-7.32 -6.93 -7.27
Similarity Score:
22.47%
Best Match:
CHEMBL162577

L: Hydromorphone
NMDZ1_HUMAN

Docking Scores:
-7.74 -7.34 -7.55
Similarity Score:
23.04%
Best Match:
CHEMBL419399

L: Ibuprofen
NMDZ1_HUMAN

Docking Scores:
-8.17 -8.01 -8.40
Similarity Score:
26.17%
Best Match:
CHEMBL419399

L: Codeine
NMDZ1_HUMAN

Docking Scores:
-7.75 -6.96 -6.87
Similarity Score:
20.72%
Best Match:
CHEMBL419399

L: Dihydrocodeine
NOS1_HUMAN

Docking Scores:
-8.37 -8.33 -8.06
Similarity Score:
41.36%
Best Match:
CHEMBL42968

L: Acetylsalicylic acid
NOS1_HUMAN

Docking Scores:
-6.64 -6.86 -6.31
Similarity Score:
33.03%
Best Match:
CHEMBL4060083

L: Hydromorphone
NOS1_HUMAN

Docking Scores:
-7.79 -7.94 -8.73
Similarity Score:
40.10%
Best Match:
CHEMBL42968

L: Ibuprofen
NOS1_HUMAN

Docking Scores:
-7.96 -7.83 -7.40
Similarity Score:
36.84%
Best Match:
CHEMBL298404

L: Codeine
NOS1_HUMAN

Docking Scores:
-7.20 -7.33 -8.61
Similarity Score:
34.93%
Best Match:
CHEMBL42968

L: Dihydrocodeine
NOS2_HUMAN

Docking Scores:
-6.64 -7.70 -7.72
Similarity Score:
41.36%
Best Match:
CHEMBL42968

L: Acetylsalicylic acid
NOS2_HUMAN

Docking Scores:
-5.95 -5.83 -6.25
Similarity Score:
35.92%
Best Match:
CHEMBL1762473

L: Hydromorphone
NOS2_HUMAN

Docking Scores:
-6.11 -8.83 -8.31
Similarity Score:
40.10%
Best Match:
CHEMBL42968

L: Ibuprofen
NOS2_HUMAN

Docking Scores:
-7.52 -7.58 -7.92
Similarity Score:
33.87%
Best Match:
CHEMBL450583

L: Codeine
NOS2_HUMAN

Docking Scores:
-7.32 -8.24 -8.07
Similarity Score:
34.93%
Best Match:
CHEMBL42968