JLK-fentanyl #234 Output - DAKB-GPCRS

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JLK-fentanyl #234 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

HRH1_HUMAN

Docking Scores:
-7.34
Similarity Score:
61.82%
Best Match:
CHEMBL1242923
Prediction Result:
N/A

HRH2_HUMAN

Docking Scores:
-9.91 -9.08 -9.89
Similarity Score:
40.57%
Best Match:
CHEMBL1627
Prediction Result:
Active^98.14%

HRH3_HUMAN

Docking Scores:
-7.96 -9.19 -8.20
Similarity Score:
65.91%
Best Match:
CHEMBL3949244
Prediction Result:
Active^93.76%

HRH4_HUMAN

Docking Scores:
-8.57 -7.57 -8.40
Similarity Score:
43.69%
Best Match:
CHEMBL4084275
Prediction Result:
Active^53.07%

MC3R_HUMAN

Docking Scores:
-8.54 -8.28 -9.12
Similarity Score:
46.97%
Best Match:
CHEMBL1089104
Prediction Result:
Active^72.23%

MC4R_HUMAN

Docking Scores:
-7.73 -7.20 -7.28
Similarity Score:
54.70%
Best Match:
CHEMBL379051
Prediction Result:
Inactive^72.98%

MC5R_HUMAN

Docking Scores:
-5.83 -8.50 -5.51
Similarity Score:
51.64%
Best Match:
CHEMBL3951865
Prediction Result:
Inactive^52.12%

MSHR_HUMAN

Docking Scores:
-8.55 -8.57 -7.99
Similarity Score:
44.64%
Best Match:
CHEMBL1091631
Prediction Result:
Inactive^66.40%

NK1R_HUMAN

Docking Scores:
-8.94 -7.69 -8.18
Similarity Score:
63.92%
Best Match:
CHEMBL89245
Prediction Result:
N/A

NK2R_HUMAN

Docking Scores:
-8.77 -9.01 -9.13
Similarity Score:
50.82%
Best Match:
CHEMBL108997
Prediction Result:
Inactive^76.49%

NPBW1_HUMAN

Docking Scores:
-7.88 -8.13 -8.17
Similarity Score:
32.11%
Best Match:
CHEMBL1968640
Prediction Result:
Inactive^91.12%

NPFF1_HUMAN

Docking Scores:
-8.34 -8.13 -8.09
Similarity Score:
51.89%
Best Match:
CHEMBL3361410
Prediction Result:
Active^61.18%

NPSR1_HUMAN

Docking Scores:
-8.74 -10.35 -8.84
Similarity Score:
43.48%
Best Match:
CHEMBL1289780
Prediction Result:
Active^54.23%

NPY1R_HUMAN

Docking Scores:
-9.95 -9.21 -8.65
Similarity Score:
45.10%
Best Match:
CHEMBL564810
Prediction Result:
N/A

NPY2R_HUMAN

Docking Scores:
-8.45 -8.25 -7.65
Similarity Score:
73.03%
Best Match:
CHEMBL1288048
Prediction Result:
Active^90.17%

NPY4R_HUMAN

Docking Scores:
-8.88 -8.58 -8.38
Similarity Score:
40.65%
Best Match:
CHEMBL2110365
Prediction Result:
Inactive^76.13%

NPY5R_HUMAN

Docking Scores:
-8.04 -8.00 -7.42
Similarity Score:
59.81%
Best Match:
CHEMBL2013017
Prediction Result:
Active^86.05%

OPRD_HUMAN

Docking Scores:
-8.32 -7.55 -7.57
Similarity Score:
100.00%
Best Match:
CHEMBL12391
Prediction Result:
N/A

OPRK_HUMAN

Docking Scores:
-9.70 -8.66 -9.15
Similarity Score:
100.00%
Best Match:
CHEMBL12391
Prediction Result:
N/A

OPRM_HUMAN

Docking Scores:
-9.26 -7.67 -8.25
Similarity Score:
100.00%
Best Match:
CHEMBL12391
Prediction Result:
Active^99.99%