JEFFO job 580 #264 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: HU-580
ACM5_HUMAN

Docking Scores:
-8.88 -8.96 -8.46
Similarity Score:
30.77%
Best Match:
CHEMBL305660
Prediction Result:
Active61.66%

L: CBDA
ACM5_HUMAN

Docking Scores:
-8.92 -9.16 -9.68
Similarity Score:
29.41%
Best Match:
CHEMBL170221
Prediction Result:
Active65.85%

L: HU-580
ACTHR_HUMAN

Docking Scores:
-9.10 -8.67 -8.56
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

L: CBDA
ACTHR_HUMAN

Docking Scores:
-9.02 -9.38 -8.43
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

L: HU-580
ADA1D_HUMAN

Docking Scores:
-8.23 -7.58 -8.24
Similarity Score:
36.42%
Best Match:
CHEMBL98168
Prediction Result:
Inactive68.14%

L: CBDA
ADA1D_HUMAN

Docking Scores:
-8.31 -7.60 -7.90
Similarity Score:
38.35%
Best Match:
CHEMBL429
Prediction Result:
Inactive66.58%

L: HU-580
ADA2A_HUMAN

Docking Scores:
-2.49 -2.97 -0.45
Similarity Score:
33.33%
Best Match:
CHEMBL317912
Prediction Result:
Inactive99.99%

L: CBDA
ADA2A_HUMAN

Docking Scores:
-3.56 -4.75 -2.28
Similarity Score:
35.37%
Best Match:
CHEMBL317912
Prediction Result:
Inactive99.99%

L: HU-580
ADA2B_HUMAN

Docking Scores:
-9.24 -9.49 -7.39
Similarity Score:
30.77%
Best Match:
CHEMBL305660
Prediction Result:
Inactive58.35%

L: CBDA
ADA2B_HUMAN

Docking Scores:
-9.21 -9.76 -7.42
Similarity Score:
31.67%
Best Match:
CHEMBL1242950
Prediction Result:
Inactive56.41%

L: HU-580
ADA2C_HUMAN

Docking Scores:
-2.91 -0.35 0.65
Similarity Score:
32.67%
Best Match:
CHEMBL14638
Prediction Result:
Inactive99.99%

L: CBDA
ADA2C_HUMAN

Docking Scores:
-2.77 0.19 0.52
Similarity Score:
33.80%
Best Match:
CHEMBL14638
Prediction Result:
Inactive99.99%

L: HU-580
ADRB1_HUMAN

Docking Scores:
-8.73 -8.00 -8.32
Similarity Score:
35.92%
Best Match:
CHEMBL429
Prediction Result:
Inactive59.61%

L: CBDA
ADRB1_HUMAN

Docking Scores:
-9.29 -8.36 -8.68
Similarity Score:
38.35%
Best Match:
CHEMBL429
Prediction Result:
Inactive59.26%

L: HU-580
ADRB2_HUMAN

Docking Scores:
-7.85 -8.68 -8.49
Similarity Score:
37.24%
Best Match:
CHEMBL1082607
Prediction Result:
N/A

L: CBDA
ADRB2_HUMAN

Docking Scores:
-7.77 -9.45 -8.71
Similarity Score:
38.69%
Best Match:
CHEMBL1082607
Prediction Result:
N/A

L: HU-580
ADRB3_HUMAN

Docking Scores:
-8.92 -7.99 -9.11
Similarity Score:
35.85%
Best Match:
CHEMBL498519
Prediction Result:
N/A

L: CBDA
ADRB3_HUMAN

Docking Scores:
-9.13 -8.48 -8.85
Similarity Score:
36.55%
Best Match:
CHEMBL1201237
Prediction Result:
N/A

L: HU-580
AGTR2_HUMAN

Docking Scores:
-8.31 -8.88 -7.92
Similarity Score:
30.46%
Best Match:
CHEMBL156100
Prediction Result:
N/A

L: CBDA
AGTR2_HUMAN

Docking Scores:
-8.08 -7.98 -7.93
Similarity Score:
28.93%
Best Match:
CHEMBL154057
Prediction Result:
N/A