JLK-fentanyl #234 Output Download CSV
The docking scores are in the AutoDock Vina metric.
CXCR1_HUMAN
Docking Scores:
-4.57
Similarity Score:
31.10%
Best Match:
CHEMBL561812
Prediction Result:
N/A
CXCR2_HUMAN
Docking Scores:
-8.65
-7.17
-7.69
Similarity Score:
33.87%
Best Match:
CHEMBL392181
Prediction Result:
Inactive70.51%
CXCR3_HUMAN
Docking Scores:
-8.74
-8.84
-8.73
Similarity Score:
54.55%
Best Match:
CHEMBL252503
Prediction Result:
Inactive62.54%
CXCR4_HUMAN
Docking Scores:
-8.63
-7.40
-7.60
Similarity Score:
41.88%
Best Match:
CHEMBL2371850
Prediction Result:
N/A
DRD1_HUMAN
Docking Scores:
-9.10
-8.88
-8.73
Similarity Score:
50.00%
Best Match:
CHEMBL476108
Prediction Result:
Active75.56%
DRD2_HUMAN
Docking Scores:
-8.17
Similarity Score:
70.79%
Best Match:
CHEMBL4091231
Prediction Result:
N/A
DRD3_HUMAN
Docking Scores:
-7.84
Similarity Score:
70.79%
Best Match:
CHEMBL4091231
Prediction Result:
N/A
DRD4_HUMAN
Docking Scores:
-9.29
-9.39
Similarity Score:
70.79%
Best Match:
CHEMBL4074104
Prediction Result:
N/A
DRD5_HUMAN
Docking Scores:
-8.90
-9.94
-7.31
Similarity Score:
52.25%
Best Match:
CHEMBL394080
Prediction Result:
Inactive53.28%
EDNRA_HUMAN
Docking Scores:
-7.63
-7.64
-7.88
Similarity Score:
38.19%
Best Match:
CHEMBL1793932
Prediction Result:
Inactive63.71%
GABR1_HUMAN
Docking Scores:
-1.85
-2.87
9.21
Similarity Score:
21.48%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%
GASR_HUMAN
Docking Scores:
-8.49
-7.93
-6.69
Similarity Score:
50.00%
Best Match:
CHEMBL331929
Prediction Result:
Inactive59.12%
GRM1_HUMAN
Docking Scores:
-8.31
-9.60
-8.74
Similarity Score:
61.11%
Best Match:
CHEMBL2418383
Prediction Result:
Active70.31%
GRM2_HUMAN
Docking Scores:
-3.86
-4.30
-2.86
Similarity Score:
45.92%
Best Match:
CHEMBL3221831
Prediction Result:
Inactive99.99%
GRM3_HUMAN
Docking Scores:
-4.64
-5.57
-6.58
Similarity Score:
34.82%
Best Match:
CHEMBL4095995
Prediction Result:
Inactive72.16%
GRM4_HUMAN
Docking Scores:
-0.55
0.07
0.60
Similarity Score:
43.62%
Best Match:
CHEMBL578358
Prediction Result:
Inactive99.99%
GRM5_HUMAN
Docking Scores:
-8.18
-9.30
-9.17
Similarity Score:
47.52%
Best Match:
CHEMBL2338572
Prediction Result:
N/A
GRM6_HUMAN
Docking Scores:
-6.59
-9.36
-7.22
Similarity Score:
41.67%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive99.02%
GRM7_HUMAN
Docking Scores:
-2.66
-2.55
-2.44
Similarity Score:
30.14%
Best Match:
CHEMBL3559748
Prediction Result:
Inactive99.99%
GRM8_HUMAN
Docking Scores:
3.44
-0.96
-0.47
Similarity Score:
41.67%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive99.99%