JEFFO job 580 #264 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: HU-580
HRH1_HUMAN

Docking Scores:
-5.24
Similarity Score:
36.23%
Best Match:
CHEMBL1101
Prediction Result:
N/A

L: CBDA
HRH1_HUMAN

Docking Scores:
-5.21
Similarity Score:
37.69%
Best Match:
CHEMBL1101
Prediction Result:
N/A

L: HU-580
HRH2_HUMAN

Docking Scores:
-8.88 -8.38 -8.38
Similarity Score:
32.26%
Best Match:
CHEMBL490632
Prediction Result:
Active96.87%

L: CBDA
HRH2_HUMAN

Docking Scores:
-8.69 -7.99 -8.26
Similarity Score:
32.43%
Best Match:
CHEMBL490632
Prediction Result:
Active97.02%

L: HU-580
HRH3_HUMAN

Docking Scores:
-7.61 -8.03 -7.96
Similarity Score:
41.46%
Best Match:
CHEMBL507921
Prediction Result:
Inactive50.82%

L: CBDA
HRH3_HUMAN

Docking Scores:
-7.74 -8.02 -8.15
Similarity Score:
39.38%
Best Match:
CHEMBL507921
Prediction Result:
Active50.14%

L: HU-580
HRH4_HUMAN

Docking Scores:
-7.60 -7.06 -7.43
Similarity Score:
33.54%
Best Match:
CHEMBL4063170
Prediction Result:
Active68.91%

L: CBDA
HRH4_HUMAN

Docking Scores:
-9.08 -7.24 -9.13
Similarity Score:
34.64%
Best Match:
CHEMBL4063170
Prediction Result:
Inactive62.20%

L: HU-580
MC3R_HUMAN

Docking Scores:
-7.76 -7.22 -7.33
Similarity Score:
26.83%
Best Match:
CHEMBL13910
Prediction Result:
Inactive75.23%

L: CBDA
MC3R_HUMAN

Docking Scores:
-7.60 -7.33 -7.53
Similarity Score:
27.41%
Best Match:
CHEMBL13910
Prediction Result:
Inactive76.42%

L: HU-580
MC4R_HUMAN

Docking Scores:
-7.08 -7.02 -6.65
Similarity Score:
32.09%
Best Match:
CHEMBL1490308
Prediction Result:
Inactive94.88%

L: CBDA
MC4R_HUMAN

Docking Scores:
-7.27 -6.30 -7.33
Similarity Score:
32.31%
Best Match:
CHEMBL1699592
Prediction Result:
Inactive90.68%

L: HU-580
MC5R_HUMAN

Docking Scores:
-6.44 -7.66 -5.08
Similarity Score:
25.14%
Best Match:
CHEMBL3913861
Prediction Result:
Inactive87.57%

L: CBDA
MC5R_HUMAN

Docking Scores:
-7.27 -7.36 -4.44
Similarity Score:
25.75%
Best Match:
CHEMBL3913861
Prediction Result:
Inactive92.92%

L: HU-580
MSHR_HUMAN

Docking Scores:
-8.28 -8.24 -8.10
Similarity Score:
26.92%
Best Match:
CHEMBL1682208
Prediction Result:
Inactive79.86%

L: CBDA
MSHR_HUMAN

Docking Scores:
-7.96 -8.19 -8.69
Similarity Score:
27.41%
Best Match:
CHEMBL13910
Prediction Result:
Inactive73.05%

L: HU-580
NK1R_HUMAN

Docking Scores:
-7.90 -7.92 -7.15
Similarity Score:
35.03%
Best Match:
CHEMBL478392
Prediction Result:
N/A

L: CBDA
NK1R_HUMAN

Docking Scores:
-8.08 -7.96 -7.33
Similarity Score:
33.77%
Best Match:
CHEMBL22360
Prediction Result:
N/A

L: HU-580
NK2R_HUMAN

Docking Scores:
-7.98 -8.11 -8.47
Similarity Score:
30.77%
Best Match:
CHEMBL305660
Prediction Result:
Inactive98.15%

L: CBDA
NK2R_HUMAN

Docking Scores:
-8.08 -8.19 -8.45
Similarity Score:
29.59%
Best Match:
CHEMBL173420
Prediction Result:
Inactive98.71%