YJING #63 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

ACM5_HUMAN

Docking Scores:
-9.58 -9.90 -9.80
Similarity Score:
44.66%
Best Match:
CHEMBL221753
Prediction Result:
Active69.06%

ACTHR_HUMAN

Docking Scores:
-10.33 -10.71 -8.25
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-8.26 -8.82 -8.01
Similarity Score:
61.18%
Best Match:
CHEMBL1254829
Prediction Result:
Active77.68%

ADA2A_HUMAN

Docking Scores:
-7.29 -8.37 -3.97
Similarity Score:
46.23%
Best Match:
CHEMBL4091137
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.06 -9.73 -10.22
Similarity Score:
51.04%
Best Match:
CHEMBL2432051
Prediction Result:
Active65.50%

ADA2C_HUMAN

Docking Scores:
-6.41 -3.77 -1.64
Similarity Score:
53.26%
Best Match:
CHEMBL2432056
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-8.87 -8.87 -9.20
Similarity Score:
42.98%
Best Match:
CHEMBL299175
Prediction Result:
Inactive51.01%

ADRB2_HUMAN

Docking Scores:
-7.85 -9.38 -8.49
Similarity Score:
47.47%
Best Match:
CHEMBL3799593
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-9.14 -10.15 -9.06
Similarity Score:
47.24%
Best Match:
CHEMBL105475
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-9.36 -9.22 -8.76
Similarity Score:
48.23%
Best Match:
CHEMBL155987
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-9.36 -10.62 -10.27
Similarity Score:
31.91%
Best Match:
CHEMBL210662
Prediction Result:
Inactive65.07%

CALCR_HUMAN

Docking Scores:
-8.29 -8.14 -8.76
Similarity Score:
18.03%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.34%

CCKAR_HUMAN

Docking Scores:
-7.87 -8.23 -8.17
Similarity Score:
25.71%
Best Match:
CHEMBL505225
Prediction Result:
Inactive96.57%

CCR1_HUMAN

Docking Scores:
-8.54 -7.43 -7.89
Similarity Score:
44.25%
Best Match:
CHEMBL234622
Prediction Result:
Inactive75.68%

CCR2_HUMAN

Docking Scores:
-8.72 -8.00 -7.87
Similarity Score:
39.34%
Best Match:
CHEMBL272331
Prediction Result:
Inactive54.03%

CCR4_HUMAN

Docking Scores:
-7.61 -8.21 -9.14
Similarity Score:
54.64%
Best Match:
CHEMBL1623307
Prediction Result:
Active51.91%

CCR5_HUMAN

Docking Scores:
-9.10 -8.67 -8.69
Similarity Score:
48.70%
Best Match:
CHEMBL233638
Prediction Result:
Inactive78.15%

CLTR1_HUMAN

Docking Scores:
-7.72 -8.88 -9.11
Similarity Score:
37.68%
Best Match:
CHEMBL128151
Prediction Result:
Inactive89.75%

CNR1_HUMAN

Docking Scores:
-9.29 -10.08 -9.69
Similarity Score:
58.77%
Best Match:
CHEMBL260284
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-9.25 -9.93
Similarity Score:
50.00%
Best Match:
CHEMBL3410829
Prediction Result:
N/A