JEFFO job 580 #264 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: HU-580
5HT6R_HUMAN

Docking Scores:
-6.95 -7.27 -8.58
Similarity Score:
36.97%
Best Match:
CHEMBL146942
Prediction Result:
Active65.06%

L: CBDA
5HT6R_HUMAN

Docking Scores:
-7.53 -7.74 -8.52
Similarity Score:
40.00%
Best Match:
CHEMBL146942
Prediction Result:
Active70.40%

L: HU-580
5HT7R_HUMAN

Docking Scores:
-8.27 -8.33 -8.53
Similarity Score:
36.97%
Best Match:
CHEMBL146942
Prediction Result:
Inactive53.00%

L: CBDA
5HT7R_HUMAN

Docking Scores:
-8.63 -8.02 -8.15
Similarity Score:
40.00%
Best Match:
CHEMBL146942
Prediction Result:
Active53.13%

L: HU-580
AA1R_HUMAN

Docking Scores:
-8.02 -8.36 -6.49
Similarity Score:
28.57%
Best Match:
CHEMBL383134
Prediction Result:
N/A

L: CBDA
AA1R_HUMAN

Docking Scores:
-8.42 -8.26 -7.75
Similarity Score:
28.57%
Best Match:
CHEMBL383134
Prediction Result:
N/A

L: HU-580
AA2AR_HUMAN

Docking Scores:
-8.12 -7.67 -8.75
Similarity Score:
28.57%
Best Match:
CHEMBL383134
Prediction Result:
N/A

L: CBDA
AA2AR_HUMAN

Docking Scores:
-8.62 -7.95 -8.93
Similarity Score:
28.57%
Best Match:
CHEMBL383134
Prediction Result:
N/A

L: HU-580
AA2BR_HUMAN

Docking Scores:
-8.14 -8.17 -8.24
Similarity Score:
24.14%
Best Match:
CHEMBL339936
Prediction Result:
Inactive71.81%

L: CBDA
AA2BR_HUMAN

Docking Scores:
-8.04 -7.92 -8.13
Similarity Score:
23.35%
Best Match:
CHEMBL589251
Prediction Result:
Inactive70.58%

L: HU-580
AA3R_HUMAN

Docking Scores:
-8.19 -5.83 -7.93
Similarity Score:
32.09%
Best Match:
CHEMBL56
Prediction Result:
Active50.23%

L: CBDA
AA3R_HUMAN

Docking Scores:
-8.82 -6.03 -8.63
Similarity Score:
33.33%
Best Match:
CHEMBL56
Prediction Result:
Inactive66.53%

L: HU-580
ACM1_HUMAN

Docking Scores:
-8.27 -3.26
Similarity Score:
36.23%
Best Match:
CHEMBL3085495
Prediction Result:
N/A

L: CBDA
ACM1_HUMAN

Docking Scores:
-8.99 -3.14
Similarity Score:
37.69%
Best Match:
CHEMBL3085495
Prediction Result:
N/A

L: HU-580
ACM2_HUMAN

Docking Scores:
-8.51 -8.83 -8.78
Similarity Score:
36.23%
Best Match:
CHEMBL3085495
Prediction Result:
Inactive61.18%

L: CBDA
ACM2_HUMAN

Docking Scores:
-8.94 -8.32 -9.78
Similarity Score:
37.69%
Best Match:
CHEMBL3085495
Prediction Result:
Active51.67%

L: HU-580
ACM3_HUMAN

Docking Scores:
-8.24 -9.13 -9.58
Similarity Score:
36.23%
Best Match:
CHEMBL3085495
Prediction Result:
Active54.63%

L: CBDA
ACM3_HUMAN

Docking Scores:
-8.80 -8.71 -8.96
Similarity Score:
37.69%
Best Match:
CHEMBL3085495
Prediction Result:
Inactive52.69%

L: HU-580
ACM4_HUMAN

Docking Scores:
-8.66 -6.66
Similarity Score:
36.23%
Best Match:
CHEMBL3085495
Prediction Result:
N/A

L: CBDA
ACM4_HUMAN

Docking Scores:
-9.26 -7.64
Similarity Score:
37.69%
Best Match:
CHEMBL3085495
Prediction Result:
N/A