JEFFO job 580 #264 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: HU-580
BKRB2_HUMAN

Docking Scores:
-8.84 -8.62 -8.49
Similarity Score:
24.02%
Best Match:
CHEMBL140383
Prediction Result:
Inactive89.22%

L: CBDA
BKRB2_HUMAN

Docking Scores:
-8.82 -8.90 -8.95
Similarity Score:
21.80%
Best Match:
CHEMBL483749
Prediction Result:
Inactive88.11%

L: HU-580
CALCR_HUMAN

Docking Scores:
-6.61 -7.85 -8.02
Similarity Score:
21.89%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.16%

L: CBDA
CALCR_HUMAN

Docking Scores:
-7.10 -8.06 -8.06
Similarity Score:
22.77%
Best Match:
CHEMBL2369897
Prediction Result:
Inactive98.49%

L: HU-580
CCKAR_HUMAN

Docking Scores:
-8.55 -7.63 -8.67
Similarity Score:
24.60%
Best Match:
CHEMBL2372623
Prediction Result:
Inactive96.35%

L: CBDA
CCKAR_HUMAN

Docking Scores:
-8.43 -7.37 -8.54
Similarity Score:
25.00%
Best Match:
CHEMBL2372623
Prediction Result:
Inactive96.88%

L: HU-580
CCR1_HUMAN

Docking Scores:
-7.76 -6.62 -7.45
Similarity Score:
40.14%
Best Match:
CHEMBL3138187
Prediction Result:
Inactive93.36%

L: CBDA
CCR1_HUMAN

Docking Scores:
-8.81 -7.74 -7.71
Similarity Score:
42.75%
Best Match:
CHEMBL3138187
Prediction Result:
Inactive82.32%

L: HU-580
CCR2_HUMAN

Docking Scores:
-7.51 -8.57 -7.73
Similarity Score:
44.27%
Best Match:
CHEMBL3754155
Prediction Result:
Inactive63.65%

L: CBDA
CCR2_HUMAN

Docking Scores:
-7.29 -8.13 -7.78
Similarity Score:
47.54%
Best Match:
CHEMBL3754155
Prediction Result:
Inactive64.25%

L: HU-580
CCR4_HUMAN

Docking Scores:
-7.37 -7.95 -7.75
Similarity Score:
26.76%
Best Match:
CHEMBL1618631
Prediction Result:
Inactive74.99%

L: CBDA
CCR4_HUMAN

Docking Scores:
-7.50 -7.64 -7.20
Similarity Score:
24.82%
Best Match:
CHEMBL1623307
Prediction Result:
Inactive77.89%

L: HU-580
CCR5_HUMAN

Docking Scores:
-7.58 -7.83 -7.68
Similarity Score:
35.86%
Best Match:
CHEMBL103268
Prediction Result:
Inactive97.69%

L: CBDA
CCR5_HUMAN

Docking Scores:
-7.36 -7.83 -7.62
Similarity Score:
38.24%
Best Match:
CHEMBL103268
Prediction Result:
Inactive97.38%

L: HU-580
CLTR1_HUMAN

Docking Scores:
-8.50 -8.71 -8.94
Similarity Score:
38.46%
Best Match:
CHEMBL276879
Prediction Result:
Inactive94.12%

L: CBDA
CLTR1_HUMAN

Docking Scores:
-8.45 -8.30 -9.03
Similarity Score:
39.47%
Best Match:
CHEMBL11625
Prediction Result:
Inactive94.72%

L: HU-580
CNR1_HUMAN

Docking Scores:
-6.68 -8.69 -10.08
Similarity Score:
63.96%
Best Match:
CHEMBL394305
Prediction Result:
N/A

L: CBDA
CNR1_HUMAN

Docking Scores:
-6.92 -8.43 -9.77
Similarity Score:
69.61%
Best Match:
CHEMBL394305
Prediction Result:
N/A

L: HU-580
CNR2_HUMAN

Docking Scores:
-9.05 -9.08
Similarity Score:
64.55%
Best Match:
CHEMBL236171
Prediction Result:
N/A

L: CBDA
CNR2_HUMAN

Docking Scores:
-9.09 -9.25
Similarity Score:
70.30%
Best Match:
CHEMBL236171
Prediction Result:
N/A