Captagon #30 Output Download CSV
The docking scores are in the AutoDock Vina metric.
CXCR1_HUMAN
Docking Scores:
-6.22
Similarity Score:
24.70%
Best Match:
CHEMBL3609011
Prediction Result:
N/A
CXCR2_HUMAN
Docking Scores:
-8.46
-7.94
-7.28
Similarity Score:
33.51%
Best Match:
CHEMBL403877
Prediction Result:
Inactive68.35%
CXCR3_HUMAN
Docking Scores:
-8.80
-8.30
-9.65
Similarity Score:
46.58%
Best Match:
CHEMBL402855
Prediction Result:
Inactive68.87%
CXCR4_HUMAN
Docking Scores:
-8.47
-7.00
-7.18
Similarity Score:
35.22%
Best Match:
CHEMBL366033
Prediction Result:
N/A
DRD1_HUMAN
Docking Scores:
-9.04
-7.99
-9.13
Similarity Score:
45.20%
Best Match:
CHEMBL370364
Prediction Result:
Active61.80%
DRD2_HUMAN
Docking Scores:
-7.24
Similarity Score:
68.61%
Best Match:
CHEMBL338611
Prediction Result:
N/A
DRD3_HUMAN
Docking Scores:
-8.36
Similarity Score:
56.21%
Best Match:
CHEMBL3797209
Prediction Result:
N/A
DRD4_HUMAN
Docking Scores:
-9.25
-9.15
Similarity Score:
57.34%
Best Match:
CHEMBL51
Prediction Result:
N/A
DRD5_HUMAN
Docking Scores:
-9.29
-9.71
-9.55
Similarity Score:
38.78%
Best Match:
CHEMBL238718
Prediction Result:
Active61.30%
EDNRA_HUMAN
Docking Scores:
-7.57
-7.66
-7.63
Similarity Score:
36.31%
Best Match:
CHEMBL343379
Prediction Result:
Inactive57.33%
GABR1_HUMAN
Docking Scores:
-3.75
-6.84
-2.12
Similarity Score:
20.71%
Best Match:
CHEMBL392394
Prediction Result:
Inactive99.99%
GASR_HUMAN
Docking Scores:
-8.06
-7.98
-6.90
Similarity Score:
38.80%
Best Match:
CHEMBL36436
Prediction Result:
Inactive73.20%
GRM1_HUMAN
Docking Scores:
-8.41
-9.91
-8.28
Similarity Score:
40.11%
Best Match:
CHEMBL248052
Prediction Result:
Inactive56.88%
GRM2_HUMAN
Docking Scores:
-5.90
-6.65
-5.78
Similarity Score:
44.59%
Best Match:
CHEMBL3804903
Prediction Result:
Active63.41%
GRM3_HUMAN
Docking Scores:
-6.79
-8.01
-8.19
Similarity Score:
39.31%
Best Match:
CHEMBL3401177
Prediction Result:
Inactive84.65%
GRM4_HUMAN
Docking Scores:
-3.21
-0.86
-1.60
Similarity Score:
28.57%
Best Match:
CHEMBL2023624
Prediction Result:
Inactive99.99%
GRM5_HUMAN
Docking Scores:
-8.53
-7.93
-7.27
Similarity Score:
36.18%
Best Match:
CHEMBL4072424
Prediction Result:
N/A
GRM6_HUMAN
Docking Scores:
-6.40
-7.86
-6.20
Similarity Score:
25.74%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive92.97%
GRM7_HUMAN
Docking Scores:
-4.30
-4.09
-4.49
Similarity Score:
27.41%
Best Match:
CHEMBL3561038
Prediction Result:
Inactive99.99%
GRM8_HUMAN
Docking Scores:
-1.40
-2.73
-2.55
Similarity Score:
27.41%
Best Match:
CHEMBL3561038
Prediction Result:
Inactive99.99%