YJING #62 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

ACM5_HUMAN

Docking Scores:
-10.49 -11.34 -11.31
Similarity Score:
55.43%
Best Match:
CHEMBL27673
Prediction Result:
Active93.72%

ACTHR_HUMAN

Docking Scores:
-10.77 -10.69 -9.37
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

ADA1D_HUMAN

Docking Scores:
-9.82 -10.15 -9.79
Similarity Score:
50.00%
Best Match:
CHEMBL1254829
Prediction Result:
Active69.00%

ADA2A_HUMAN

Docking Scores:
-3.57 -2.79 -1.52
Similarity Score:
52.07%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

ADA2B_HUMAN

Docking Scores:
-10.69 -10.42 -10.96
Similarity Score:
68.48%
Best Match:
CHEMBL2432051
Prediction Result:
Active86.93%

ADA2C_HUMAN

Docking Scores:
-2.15 2.00 3.63
Similarity Score:
71.59%
Best Match:
CHEMBL2432056
Prediction Result:
Inactive99.99%

ADRB1_HUMAN

Docking Scores:
-10.33 -9.72 -10.11
Similarity Score:
42.98%
Best Match:
CHEMBL299175
Prediction Result:
Active55.93%

ADRB2_HUMAN

Docking Scores:
-9.83 -10.02 -10.77
Similarity Score:
56.07%
Best Match:
CHEMBL1378531
Prediction Result:
N/A

ADRB3_HUMAN

Docking Scores:
-10.99 -11.18 -10.70
Similarity Score:
43.80%
Best Match:
CHEMBL105475
Prediction Result:
N/A

AGTR2_HUMAN

Docking Scores:
-10.81 -10.88 -10.65
Similarity Score:
47.83%
Best Match:
CHEMBL154057
Prediction Result:
N/A

BKRB2_HUMAN

Docking Scores:
-10.78 -11.83 -10.62
Similarity Score:
35.23%
Best Match:
CHEMBL559565
Prediction Result:
Inactive59.57%

CALCR_HUMAN

Docking Scores:
-9.48 -8.93 -8.83
Similarity Score:
22.83%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.37%

CCKAR_HUMAN

Docking Scores:
-9.35 -9.45 -10.18
Similarity Score:
29.37%
Best Match:
CHEMBL206025
Prediction Result:
Inactive59.57%

CCR1_HUMAN

Docking Scores:
-8.93 -8.99 -8.39
Similarity Score:
41.73%
Best Match:
CHEMBL2398763
Prediction Result:
Inactive57.51%

CCR2_HUMAN

Docking Scores:
-10.03 -8.89 -8.80
Similarity Score:
44.22%
Best Match:
CHEMBL3417124
Prediction Result:
Inactive51.16%

CCR4_HUMAN

Docking Scores:
-8.45 -9.08 -9.66
Similarity Score:
52.50%
Best Match:
CHEMBL1907216
Prediction Result:
Active67.50%

CCR5_HUMAN

Docking Scores:
-9.48 -9.43 -8.96
Similarity Score:
52.71%
Best Match:
CHEMBL556798
Prediction Result:
Active54.39%

CLTR1_HUMAN

Docking Scores:
-9.49 -10.36 -11.13
Similarity Score:
37.93%
Best Match:
CHEMBL128151
Prediction Result:
Active52.68%

CNR1_HUMAN

Docking Scores:
-10.01 -11.06 -11.44
Similarity Score:
61.86%
Best Match:
CHEMBL259425
Prediction Result:
N/A

CNR2_HUMAN

Docking Scores:
-11.86 -11.40
Similarity Score:
53.72%
Best Match:
CHEMBL519043
Prediction Result:
N/A