Trequinsin_BBB #453 Output Download CSV
The docking scores are in the AutoDock Vina metric.
CXCR1_HUMAN
Docking Scores:
5.25
Similarity Score:
24.83%
Best Match:
CHEMBL490688
Prediction Result:
N/A
CXCR2_HUMAN
Docking Scores:
-9.23
-8.43
-8.22
Similarity Score:
33.56%
Best Match:
CHEMBL207742
Prediction Result:
Inactive67.82%
CXCR3_HUMAN
Docking Scores:
-9.06
-9.08
-9.44
Similarity Score:
34.57%
Best Match:
CHEMBL272287
Prediction Result:
Inactive74.08%
CXCR4_HUMAN
Docking Scores:
-9.29
-7.42
-8.99
Similarity Score:
30.42%
Best Match:
CHEMBL4450987
Prediction Result:
N/A
DRD1_HUMAN
Docking Scores:
-9.56
-9.82
-9.57
Similarity Score:
44.06%
Best Match:
CHEMBL3697612
Prediction Result:
Active60.04%
DRD2_HUMAN
Docking Scores:
-9.44
Similarity Score:
38.69%
Best Match:
CHEMBL4096422
Prediction Result:
N/A
DRD3_HUMAN
Docking Scores:
-10.08
Similarity Score:
38.69%
Best Match:
CHEMBL4096422
Prediction Result:
N/A
DRD4_HUMAN
Docking Scores:
-8.33
-8.95
Similarity Score:
34.29%
Best Match:
CHEMBL4534005
Prediction Result:
N/A
DRD5_HUMAN
Docking Scores:
-5.15
-10.63
-8.70
Similarity Score:
40.67%
Best Match:
CHEMBL3697578
Prediction Result:
Active53.66%
EDNRA_HUMAN
Docking Scores:
-8.21
-9.06
-7.95
Similarity Score:
36.36%
Best Match:
CHEMBL10218
Prediction Result:
Inactive52.23%
GABR1_HUMAN
Docking Scores:
10.55
8.50
70.07
Similarity Score:
18.18%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%
GASR_HUMAN
Docking Scores:
-8.69
-7.76
-7.31
Similarity Score:
33.58%
Best Match:
CHEMBL37312
Prediction Result:
Inactive76.49%
GRM1_HUMAN
Docking Scores:
-8.91
-10.29
-8.20
Similarity Score:
31.75%
Best Match:
CHEMBL246609
Prediction Result:
Inactive56.87%
GRM2_HUMAN
Docking Scores:
8.22
10.85
13.79
Similarity Score:
39.69%
Best Match:
CHEMBL3921665
Prediction Result:
Inactive99.99%
GRM3_HUMAN
Docking Scores:
4.04
3.65
2.05
Similarity Score:
31.25%
Best Match:
CHEMBL3401177
Prediction Result:
Inactive99.99%
GRM4_HUMAN
Docking Scores:
14.43
20.00
20.86
Similarity Score:
31.20%
Best Match:
CHEMBL2023471
Prediction Result:
Inactive99.99%
GRM5_HUMAN
Docking Scores:
-4.67
0.20
-0.28
Similarity Score:
35.82%
Best Match:
CHEMBL2431419
Prediction Result:
N/A
GRM6_HUMAN
Docking Scores:
0.97
-5.02
3.49
Similarity Score:
23.32%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%
GRM7_HUMAN
Docking Scores:
4.75
7.58
5.86
Similarity Score:
30.58%
Best Match:
CHEMBL4446107
Prediction Result:
Inactive99.99%
GRM8_HUMAN
Docking Scores:
12.41
8.19
12.44
Similarity Score:
30.58%
Best Match:
CHEMBL4446107
Prediction Result:
Inactive99.99%