LTJ #73 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Dihydrocodeine
ACHA9_HUMAN

Docking Scores:
-7.11
Similarity Score:
22.13%
Best Match:
CHEMBL386114

L: Acetylsalicylic acid
ACHA9_HUMAN

Docking Scores:
-5.08
Similarity Score:
13.51%
Best Match:
CHEMBL386114

L: Hydromorphone
ACHA9_HUMAN

Docking Scores:
-7.68
Similarity Score:
25.75%
Best Match:
CHEMBL386114

L: Ibuprofen
ACHA9_HUMAN

Docking Scores:
-5.85
Similarity Score:
16.97%
Best Match:
CHEMBL386114

L: Codeine
ACHA9_HUMAN

Docking Scores:
-6.82
Similarity Score:
21.64%
Best Match:
CHEMBL386114

L: Dihydrocodeine
ACHB2_HUMAN

Docking Scores:
-6.20 -3.27 -7.51
Similarity Score:
N/A
Best Match:
N/A

L: Acetylsalicylic acid
ACHB2_HUMAN

Docking Scores:
-5.20 -6.43 -6.82
Similarity Score:
N/A
Best Match:
N/A

L: Hydromorphone
ACHB2_HUMAN

Docking Scores:
-3.63 -3.26 -5.11
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
ACHB2_HUMAN

Docking Scores:
-6.64 -8.03 -7.08
Similarity Score:
N/A
Best Match:
N/A

L: Codeine
ACHB2_HUMAN

Docking Scores:
-6.15 -2.48 -6.35
Similarity Score:
N/A
Best Match:
N/A

L: Dihydrocodeine
ACM1_HUMAN

Docking Scores:
-9.21 1.85
Similarity Score:
58.52%
Best Match:
CHEMBL343236

L: Acetylsalicylic acid
ACM1_HUMAN

Docking Scores:
-6.75 -6.89
Similarity Score:
40.26%
Best Match:
CHEMBL4102555

L: Hydromorphone
ACM1_HUMAN

Docking Scores:
-10.80 1.84
Similarity Score:
54.93%
Best Match:
CHEMBL343236

L: Ibuprofen
ACM1_HUMAN

Docking Scores:
-7.76 -7.22
Similarity Score:
51.52%
Best Match:
CHEMBL2164888

L: Codeine
ACM1_HUMAN

Docking Scores:
-9.79 6.44
Similarity Score:
45.40%
Best Match:
CHEMBL343236

L: Dihydrocodeine
ACM4_HUMAN

Docking Scores:
-8.90 -6.23
Similarity Score:
50.00%
Best Match:
CHEMBL1346

L: Acetylsalicylic acid
ACM4_HUMAN

Docking Scores:
-6.68 -6.42
Similarity Score:
37.18%
Best Match:
CHEMBL55

L: Hydromorphone
ACM4_HUMAN

Docking Scores:
-10.38 -8.12
Similarity Score:
51.95%
Best Match:
CHEMBL1346

L: Ibuprofen
ACM4_HUMAN

Docking Scores:
-7.86 -7.83
Similarity Score:
50.00%
Best Match:
CHEMBL2377392

L: Codeine
ACM4_HUMAN

Docking Scores:
-9.54 -7.45
Similarity Score:
39.79%
Best Match:
CHEMBL1346