Trequinsin_BBB #453 Output - DAKB-GPCRS

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Trequinsin_BBB #453 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

5HT1A_HUMAN

Docking Scores:
-9.08 -7.33 -8.41
Similarity Score:
40.68%
Best Match:
CHEMBL3884778
Prediction Result:
Inactive^69.87%

5HT1B_HUMAN

Docking Scores:
-10.44 -10.51 -8.39
Similarity Score:
34.96%
Best Match:
CHEMBL364056
Prediction Result:
N/A

5HT1D_HUMAN

Docking Scores:
-9.59 -9.39 -9.23
Similarity Score:
34.96%
Best Match:
CHEMBL364056
Prediction Result:
N/A

5HT1E_HUMAN

Docking Scores:
-9.60 -8.65 -8.55
Similarity Score:
25.93%
Best Match:
CHEMBL4210782
Prediction Result:
Inactive^64.43%

5HT1F_HUMAN

Docking Scores:
-10.12 -10.55 -9.51
Similarity Score:
27.09%
Best Match:
CHEMBL365405
Prediction Result:
Inactive^55.48%

5HT2A_HUMAN

Docking Scores:
-9.88 -9.44
Similarity Score:
36.09%
Best Match:
CHEMBL4469813
Prediction Result:
N/A

5HT2B_HUMAN

Docking Scores:
-9.99 -11.58 -10.13
Similarity Score:
35.57%
Best Match:
CHEMBL401509
Prediction Result:
N/A

5HT2C_HUMAN

Docking Scores:
-10.35 -9.73
Similarity Score:
37.30%
Best Match:
CHEMBL4092042
Prediction Result:
N/A

5HT4R_HUMAN

Docking Scores:
-10.08 -9.62 -9.11
Similarity Score:
30.34%
Best Match:
CHEMBL571799
Prediction Result:
Inactive^63.49%

5HT5A_HUMAN

Docking Scores:
-7.29 -8.06 -8.28
Similarity Score:
32.20%
Best Match:
CHEMBL1784694
Prediction Result:
Inactive^61.01%

5HT6R_HUMAN

Docking Scores:
-8.39 -8.77 -8.60
Similarity Score:
39.22%
Best Match:
CHEMBL4471755
Prediction Result:
Active^66.74%

5HT7R_HUMAN

Docking Scores:
-10.46 -10.28 -9.38
Similarity Score:
40.68%
Best Match:
CHEMBL3884778
Prediction Result:
Active^64.36%

AA1R_HUMAN

Docking Scores:
-9.37 -9.69 -7.88
Similarity Score:
43.89%
Best Match:
CHEMBL1800788
Prediction Result:
N/A

AA2AR_HUMAN

Docking Scores:
-8.74 -8.56 -10.23
Similarity Score:
43.87%
Best Match:
CHEMBL260179
Prediction Result:
N/A

AA2BR_HUMAN

Docking Scores:
-9.82 -11.09 -10.38
Similarity Score:
43.87%
Best Match:
CHEMBL260179
Prediction Result:
Inactive^50.72%

AA3R_HUMAN

Docking Scores:
-4.10 7.23 -5.53
Similarity Score:
43.89%
Best Match:
CHEMBL1800788
Prediction Result:
Inactive^99.99%

ACM1_HUMAN

Docking Scores:
-3.70 14.60
Similarity Score:
42.80%
Best Match:
CHEMBL12089
Prediction Result:
N/A

ACM2_HUMAN

Docking Scores:
-8.73 -9.16 -6.54
Similarity Score:
32.26%
Best Match:
CHEMBL296419
Prediction Result:
Inactive^59.89%

ACM3_HUMAN

Docking Scores:
-9.34 -8.47 -10.21
Similarity Score:
32.65%
Best Match:
CHEMBL3645319
Prediction Result:
Inactive^52.10%

ACM4_HUMAN

Docking Scores:
-5.94 -7.90
Similarity Score:
34.12%
Best Match:
CHEMBL481
Prediction Result:
N/A