Trequinsin_BBB #453 Output Download CSV
The docking scores are in the AutoDock Vina metric.
ACM5_HUMAN
Docking Scores:
-7.63
-8.20
-6.42
Similarity Score:
32.26%
Best Match:
CHEMBL296419
Prediction Result:
Active69.15%
ACTHR_HUMAN
Docking Scores:
-10.49
-9.50
-9.69
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A
ADA1D_HUMAN
Docking Scores:
-9.40
-7.96
-9.42
Similarity Score:
36.29%
Best Match:
CHEMBL292189
Prediction Result:
Active55.48%
ADA2A_HUMAN
Docking Scores:
6.81
9.31
15.51
Similarity Score:
37.21%
Best Match:
CHEMBL302021
Prediction Result:
Inactive99.99%
ADA2B_HUMAN
Docking Scores:
-8.76
-7.74
-5.63
Similarity Score:
42.80%
Best Match:
CHEMBL12089
Prediction Result:
Active53.29%
ADA2C_HUMAN
Docking Scores:
7.35
13.88
19.57
Similarity Score:
42.80%
Best Match:
CHEMBL12089
Prediction Result:
Inactive99.99%
ADRB1_HUMAN
Docking Scores:
-10.29
-10.07
-10.14
Similarity Score:
34.62%
Best Match:
CHEMBL467298
Prediction Result:
Active61.72%
ADRB2_HUMAN
Docking Scores:
-8.31
-8.67
-10.51
Similarity Score:
33.99%
Best Match:
CHEMBL1814267
Prediction Result:
N/A
ADRB3_HUMAN
Docking Scores:
-10.88
-11.21
-10.01
Similarity Score:
34.66%
Best Match:
CHEMBL1088076
Prediction Result:
N/A
AGTR2_HUMAN
Docking Scores:
-8.88
-8.83
-8.92
Similarity Score:
34.43%
Best Match:
CHEMBL2435821
Prediction Result:
N/A
BKRB2_HUMAN
Docking Scores:
-8.86
-8.92
-8.77
Similarity Score:
32.99%
Best Match:
CHEMBL559436
Prediction Result:
Inactive76.90%
CALCR_HUMAN
Docking Scores:
-7.68
-8.10
-9.04
Similarity Score:
29.79%
Best Match:
CHEMBL4513962
Prediction Result:
Inactive97.43%
CCKAR_HUMAN
Docking Scores:
-8.95
-8.07
-9.20
Similarity Score:
33.58%
Best Match:
CHEMBL1773889
Prediction Result:
Inactive87.97%
CCR1_HUMAN
Docking Scores:
-8.42
-7.69
-8.01
Similarity Score:
32.20%
Best Match:
CHEMBL1784694
Prediction Result:
Inactive77.83%
CCR2_HUMAN
Docking Scores:
-9.44
-9.10
-8.93
Similarity Score:
33.90%
Best Match:
CHEMBL238731
Prediction Result:
Inactive57.29%
CCR4_HUMAN
Docking Scores:
-9.16
-7.15
-7.65
Similarity Score:
30.87%
Best Match:
CHEMBL4451802
Prediction Result:
Inactive60.40%
CCR5_HUMAN
Docking Scores:
-9.24
-8.83
-9.49
Similarity Score:
34.22%
Best Match:
CHEMBL443106
Prediction Result:
Inactive74.13%
CLTR1_HUMAN
Docking Scores:
-8.70
-9.86
-10.53
Similarity Score:
31.06%
Best Match:
CHEMBL3401686
Prediction Result:
Inactive66.91%
CNR1_HUMAN
Docking Scores:
-7.04
-8.28
-7.44
Similarity Score:
37.70%
Best Match:
CHEMBL3260753
Prediction Result:
N/A
CNR2_HUMAN
Docking Scores:
-11.03
-9.65
Similarity Score:
35.92%
Best Match:
CHEMBL495756
Prediction Result:
N/A