LTJ #73 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Dihydrocodeine
NTRK1_HUMAN

Docking Scores:
-8.03 -8.55 -8.57
Similarity Score:
33.48%
Best Match:
CHEMBL3676077

L: Acetylsalicylic acid
NTRK1_HUMAN

Docking Scores:
-6.38 -6.45 -6.31
Similarity Score:
32.00%
Best Match:
CHEMBL2004025

L: Hydromorphone
NTRK1_HUMAN

Docking Scores:
-7.61 -7.95 -8.05
Similarity Score:
33.19%
Best Match:
CHEMBL3676077

L: Ibuprofen
NTRK1_HUMAN

Docking Scores:
-7.78 -8.23 -8.00
Similarity Score:
23.85%
Best Match:
CHEMBL1978371

L: Codeine
NTRK1_HUMAN

Docking Scores:
-7.99 -8.32 -8.23
Similarity Score:
39.69%
Best Match:
CHEMBL444109

L: Dihydrocodeine
OPRD_HUMAN

Docking Scores:
-7.66 -6.93 -7.08
Similarity Score:
99.23%
Best Match:
CHEMBL2418739

L: Acetylsalicylic acid
OPRD_HUMAN

Docking Scores:
-5.82 -4.82 -5.15
Similarity Score:
34.75%
Best Match:
CHEMBL149074

L: Hydromorphone
OPRD_HUMAN

Docking Scores:
-7.15 -6.84 -7.11
Similarity Score:
100.00%
Best Match:
CHEMBL398707

L: Ibuprofen
OPRD_HUMAN

Docking Scores:
-6.63 -6.50 -6.30
Similarity Score:
38.46%
Best Match:
CHEMBL201038

L: Codeine
OPRD_HUMAN

Docking Scores:
-7.24 -6.75 -6.77
Similarity Score:
99.41%
Best Match:
CHEMBL70

L: Dihydrocodeine
OPRK_HUMAN

Docking Scores:
-9.64 -9.73 -7.92
Similarity Score:
94.89%
Best Match:
CHEMBL4111313

L: Acetylsalicylic acid
OPRK_HUMAN

Docking Scores:
-5.96 -6.23 -6.36
Similarity Score:
37.36%
Best Match:
CHEMBL942

L: Hydromorphone
OPRK_HUMAN

Docking Scores:
-9.72 -8.40 -7.55
Similarity Score:
100.00%
Best Match:
CHEMBL398707

L: Ibuprofen
OPRK_HUMAN

Docking Scores:
-7.68 -7.49 -6.96
Similarity Score:
42.86%
Best Match:
CHEMBL651

L: Codeine
OPRK_HUMAN

Docking Scores:
-8.72 -8.17 -7.92
Similarity Score:
99.41%
Best Match:
CHEMBL70

L: Dihydrocodeine
OPRM_MOUSE

Docking Scores:
-7.81 -8.42
Similarity Score:
100.00%
Best Match:
CHEMBL2418738

L: Acetylsalicylic acid
OPRM_MOUSE

Docking Scores:
-6.50 -5.50
Similarity Score:
28.97%
Best Match:
CHEMBL13470

L: Hydromorphone
OPRM_MOUSE

Docking Scores:
-7.57 -8.24
Similarity Score:
99.27%
Best Match:
CHEMBL318361

L: Ibuprofen
OPRM_MOUSE

Docking Scores:
-6.47 -6.85
Similarity Score:
31.58%
Best Match:
CHEMBL151341

L: Codeine
OPRM_MOUSE

Docking Scores:
-8.29 -8.28
Similarity Score:
99.41%
Best Match:
CHEMBL70