CN(C)C(=N)/N=C(N)/N #580 Output Download CSV
The docking scores are in the AutoDock Vina metric.
CXCR1_HUMAN
Docking Scores:
-5.66
Similarity Score:
7.26%
Best Match:
CHEMBL376540
Prediction Result:
N/A
CXCR2_HUMAN
Docking Scores:
-5.16
-4.85
-4.75
Similarity Score:
7.26%
Best Match:
CHEMBL376540
Prediction Result:
Inactive81.19%
CXCR3_HUMAN
Docking Scores:
-5.37
-5.03
-4.89
Similarity Score:
5.52%
Best Match:
CHEMBL4114158
Prediction Result:
Inactive99.44%
CXCR4_HUMAN
Docking Scores:
-4.98
-5.16
-4.16
Similarity Score:
10.29%
Best Match:
CHEMBL2347631
Prediction Result:
N/A
DRD1_HUMAN
Docking Scores:
-5.06
-4.90
-5.31
Similarity Score:
6.62%
Best Match:
CHEMBL716
Prediction Result:
Inactive80.94%
DRD2_HUMAN
Docking Scores:
-4.65
Similarity Score:
9.72%
Best Match:
CHEMBL132575
Prediction Result:
N/A
DRD3_HUMAN
Docking Scores:
-4.61
Similarity Score:
8.43%
Best Match:
CHEMBL64894
Prediction Result:
N/A
DRD4_HUMAN
Docking Scores:
-4.96
-4.96
Similarity Score:
8.00%
Best Match:
CHEMBL4079495
Prediction Result:
N/A
DRD5_HUMAN
Docking Scores:
-5.40
-5.35
-5.05
Similarity Score:
5.34%
Best Match:
CHEMBL42
Prediction Result:
Inactive86.09%
EDNRA_HUMAN
Docking Scores:
-5.35
-5.06
-5.10
Similarity Score:
5.13%
Best Match:
CHEMBL405599
Prediction Result:
Inactive96.65%
GABR1_HUMAN
Docking Scores:
-5.49
-5.08
-4.99
Similarity Score:
2.78%
Best Match:
CHEMBL392394
Prediction Result:
Inactive85.79%
GASR_HUMAN
Docking Scores:
-4.90
-4.83
-4.94
Similarity Score:
8.12%
Best Match:
CHEMBL102537
Prediction Result:
Inactive96.92%
GRM1_HUMAN
Docking Scores:
-5.11
-5.29
-5.30
Similarity Score:
9.00%
Best Match:
CHEMBL239800
Prediction Result:
Inactive97.55%
GRM2_HUMAN
Docking Scores:
-5.01
-5.05
-5.07
Similarity Score:
5.56%
Best Match:
CHEMBL468800
Prediction Result:
Inactive86.83%
GRM3_HUMAN
Docking Scores:
-5.44
-5.47
-5.25
Similarity Score:
5.13%
Best Match:
CHEMBL575060
Prediction Result:
Active55.96%
GRM4_HUMAN
Docking Scores:
-4.39
-4.42
-4.20
Similarity Score:
4.14%
Best Match:
CHEMBL2023626
Prediction Result:
Inactive99.99%
GRM5_HUMAN
Docking Scores:
-5.61
-5.78
-5.69
Similarity Score:
14.13%
Best Match:
CHEMBL380626
Prediction Result:
N/A
GRM6_HUMAN
Docking Scores:
-4.66
-5.19
-4.96
Similarity Score:
5.26%
Best Match:
CHEMBL2418359
Prediction Result:
Inactive94.71%
GRM7_HUMAN
Docking Scores:
-5.09
-4.89
-4.91
Similarity Score:
3.70%
Best Match:
CHEMBL1387826
Prediction Result:
Inactive99.97%
GRM8_HUMAN
Docking Scores:
-4.95
-4.85
-4.70
Similarity Score:
5.33%
Best Match:
CHEMBL277475
Prediction Result:
Inactive96.44%