cocaine #42 Output Download CSV
The docking scores are in the AutoDock Vina metric.
CXCR1_HUMAN
Docking Scores:
-7.26
Similarity Score:
25.37%
Best Match:
CHEMBL556862
Prediction Result:
N/A
CXCR2_HUMAN
Docking Scores:
-7.85
-6.60
-6.90
Similarity Score:
33.33%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive68.90%
CXCR3_HUMAN
Docking Scores:
-7.84
-7.62
-7.76
Similarity Score:
38.13%
Best Match:
CHEMBL458422
Prediction Result:
Inactive96.83%
CXCR4_HUMAN
Docking Scores:
-7.47
-6.83
-7.11
Similarity Score:
33.84%
Best Match:
CHEMBL3923006
Prediction Result:
N/A
DRD1_HUMAN
Docking Scores:
-7.74
-7.69
-7.98
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Active69.30%
DRD2_HUMAN
Docking Scores:
-6.93
Similarity Score:
62.50%
Best Match:
CHEMBL3318839
Prediction Result:
N/A
DRD3_HUMAN
Docking Scores:
-7.82
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A
DRD4_HUMAN
Docking Scores:
-8.34
-8.54
Similarity Score:
62.50%
Best Match:
CHEMBL3318835
Prediction Result:
N/A
DRD5_HUMAN
Docking Scores:
-8.04
-9.05
-7.75
Similarity Score:
42.86%
Best Match:
CHEMBL54
Prediction Result:
Inactive53.01%
EDNRA_HUMAN
Docking Scores:
-6.99
-7.02
-7.17
Similarity Score:
37.31%
Best Match:
CHEMBL315927
Prediction Result:
Inactive56.80%
GABR1_HUMAN
Docking Scores:
-1.64
-3.99
-0.10
Similarity Score:
21.02%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%
GASR_HUMAN
Docking Scores:
-7.68
-7.43
-5.95
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive76.23%
GRM1_HUMAN
Docking Scores:
-8.60
-8.12
-7.18
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive69.20%
GRM2_HUMAN
Docking Scores:
-4.80
-6.57
-5.31
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active80.83%
GRM3_HUMAN
Docking Scores:
-5.97
-7.15
-7.37
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Inactive51.25%
GRM4_HUMAN
Docking Scores:
-2.23
-2.97
-3.00
Similarity Score:
28.12%
Best Match:
CHEMBL578988
Prediction Result:
Inactive99.99%
GRM5_HUMAN
Docking Scores:
-9.34
-5.37
-5.57
Similarity Score:
42.50%
Best Match:
CHEMBL3926962
Prediction Result:
N/A
GRM6_HUMAN
Docking Scores:
-7.32
-7.47
-7.89
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive98.36%
GRM7_HUMAN
Docking Scores:
-5.52
-5.32
-6.04
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.98%
GRM8_HUMAN
Docking Scores:
-2.65
-2.96
-2.27
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%