cocaine #42 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-7.44 -7.47 -7.76
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active69.57%

5HT1B_HUMAN

Docking Scores:
-8.15 -7.64 -8.47
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-8.17 -8.01 -6.77
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-7.79 -7.66 -7.80
Similarity Score:
26.55%
Best Match:
CHEMBL103479
Prediction Result:
Active54.51%

5HT1F_HUMAN

Docking Scores:
-7.89 -7.96 -8.05
Similarity Score:
29.76%
Best Match:
CHEMBL320198
Prediction Result:
Inactive55.54%

5HT2A_HUMAN

Docking Scores:
-8.83 -7.99
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-7.50 -7.80 -7.63
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-7.71 -8.79
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-8.43 -8.46 -7.63
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active78.10%

5HT5A_HUMAN

Docking Scores:
-8.39 -7.23 -7.40
Similarity Score:
38.28%
Best Match:
CHEMBL161507
Prediction Result:
Inactive60.28%

5HT6R_HUMAN

Docking Scores:
-7.87 -7.12 -7.87
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active95.00%

5HT7R_HUMAN

Docking Scores:
-7.89 -8.00 -7.86
Similarity Score:
44.00%
Best Match:
CHEMBL203400
Prediction Result:
Active63.46%

AA1R_HUMAN

Docking Scores:
-7.32 -8.05 -7.06
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-7.11 -7.29 -7.85
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-7.88 -7.95 -7.76
Similarity Score:
34.91%
Best Match:
CHEMBL384257
Prediction Result:
Inactive63.34%

AA3R_HUMAN

Docking Scores:
-8.40 -7.10 -7.83
Similarity Score:
69.90%
Best Match:
CHEMBL2107804
Prediction Result:
Active97.40%

ACM1_HUMAN

Docking Scores:
-9.06 -3.12
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.23 -7.89 -9.00
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
Active93.60%

ACM3_HUMAN

Docking Scores:
-8.09 -8.55 -8.83
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active74.82%

ACM4_HUMAN

Docking Scores:
-8.90 -6.92
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A