JLK-fentanyl #234 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
5HT1A_HUMAN

Docking Scores:
-8.41 -8.01 -8.65
Similarity Score:
69.66%
Best Match:
CHEMBL3321796
Prediction Result:
Active87.81%

5HT1B_HUMAN

Docking Scores:
-8.92 -9.05 -10.13
Similarity Score:
60.00%
Best Match:
CHEMBL361061
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.15 -8.70 -8.41
Similarity Score:
60.00%
Best Match:
CHEMBL361061
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-8.48 -8.31 -8.31
Similarity Score:
40.91%
Best Match:
CHEMBL105261
Prediction Result:
Inactive67.99%

5HT1F_HUMAN

Docking Scores:
-9.24 -9.09 -9.31
Similarity Score:
60.00%
Best Match:
CHEMBL361061
Prediction Result:
Active95.59%

5HT2A_HUMAN

Docking Scores:
-9.01 -9.46
Similarity Score:
57.69%
Best Match:
CHEMBL352194
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-8.84 -8.85 -9.27
Similarity Score:
56.67%
Best Match:
CHEMBL3919861
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-8.93 -9.90
Similarity Score:
57.69%
Best Match:
CHEMBL352194
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-9.24 -9.31 -8.24
Similarity Score:
44.20%
Best Match:
CHEMBL2179582
Prediction Result:
Active56.30%

5HT5A_HUMAN

Docking Scores:
-9.01 -7.03 -8.24
Similarity Score:
48.28%
Best Match:
CHEMBL189262
Prediction Result:
Inactive52.39%

5HT6R_HUMAN

Docking Scores:
-9.41 -8.37 -9.79
Similarity Score:
65.93%
Best Match:
CHEMBL3260790
Prediction Result:
Active96.63%

5HT7R_HUMAN

Docking Scores:
-8.91 -8.49 -8.47
Similarity Score:
70.45%
Best Match:
CHEMBL3321797
Prediction Result:
Active96.87%

AA1R_HUMAN

Docking Scores:
-8.48 -8.91 -9.16
Similarity Score:
36.02%
Best Match:
CHEMBL1095812
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.58 -8.21 -8.85
Similarity Score:
47.29%
Best Match:
CHEMBL539454
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-8.56 -9.09 -8.66
Similarity Score:
34.19%
Best Match:
CHEMBL32447
Prediction Result:
Active57.17%

AA3R_HUMAN

Docking Scores:
-5.81 -4.99 -8.13
Similarity Score:
45.05%
Best Match:
CHEMBL11
Prediction Result:
Active55.57%

ACM1_HUMAN

Docking Scores:
-7.69 -3.33
Similarity Score:
73.91%
Best Match:
CHEMBL1243110
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.95 -8.34 -8.19
Similarity Score:
82.93%
Best Match:
CHEMBL86309
Prediction Result:
Active92.04%

ACM3_HUMAN

Docking Scores:
-9.37 -9.63 -9.47
Similarity Score:
82.93%
Best Match:
CHEMBL86309
Prediction Result:
Active97.48%

ACM4_HUMAN

Docking Scores:
-8.53 -9.18
Similarity Score:
68.48%
Best Match:
CHEMBL3354065
Prediction Result:
N/A