CKB test #285 Output Download CSV
The docking scores are in the AutoDock Vina metric.
CXCR1_HUMAN
Docking Scores:
-6.98
Similarity Score:
26.55%
Best Match:
CHEMBL522959
Prediction Result:
N/A
CXCR2_HUMAN
Docking Scores:
-7.21
-6.20
-5.46
Similarity Score:
39.67%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive53.93%
CXCR3_HUMAN
Docking Scores:
-7.21
-7.10
-7.43
Similarity Score:
42.64%
Best Match:
CHEMBL3700578
Prediction Result:
Inactive97.52%
CXCR4_HUMAN
Docking Scores:
-6.81
-6.19
-6.04
Similarity Score:
34.95%
Best Match:
CHEMBL126657
Prediction Result:
N/A
DRD1_HUMAN
Docking Scores:
-7.16
-6.85
-7.26
Similarity Score:
50.57%
Best Match:
CHEMBL3800636
Prediction Result:
Inactive51.81%
DRD2_HUMAN
Docking Scores:
-6.54
Similarity Score:
52.04%
Best Match:
CHEMBL330865
Prediction Result:
N/A
DRD3_HUMAN
Docking Scores:
-7.61
Similarity Score:
51.40%
Best Match:
CHEMBL3664834
Prediction Result:
N/A
DRD4_HUMAN
Docking Scores:
-7.78
-7.63
Similarity Score:
50.57%
Best Match:
CHEMBL3800636
Prediction Result:
N/A
DRD5_HUMAN
Docking Scores:
-7.40
-8.02
-7.95
Similarity Score:
46.07%
Best Match:
CHEMBL231171
Prediction Result:
Active64.50%
EDNRA_HUMAN
Docking Scores:
-5.46
-6.31
-6.14
Similarity Score:
60.00%
Best Match:
CHEMBL38537
Prediction Result:
Inactive52.51%
GABR1_HUMAN
Docking Scores:
-6.03
-6.59
-6.33
Similarity Score:
19.85%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive89.80%
GASR_HUMAN
Docking Scores:
-6.23
-6.86
-5.15
Similarity Score:
37.29%
Best Match:
CHEMBL1171596
Prediction Result:
Inactive87.76%
GRM1_HUMAN
Docking Scores:
-7.61
-8.12
-7.86
Similarity Score:
49.43%
Best Match:
CHEMBL254372
Prediction Result:
Inactive50.66%
GRM2_HUMAN
Docking Scores:
-6.26
-7.06
-6.53
Similarity Score:
68.75%
Best Match:
CHEMBL341457
Prediction Result:
Active91.89%
GRM3_HUMAN
Docking Scores:
-8.24
-8.60
-8.38
Similarity Score:
68.75%
Best Match:
CHEMBL341457
Prediction Result:
Active86.39%
GRM4_HUMAN
Docking Scores:
-4.94
-5.58
-5.46
Similarity Score:
25.13%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive97.48%
GRM5_HUMAN
Docking Scores:
-7.94
-8.53
-8.62
Similarity Score:
42.00%
Best Match:
CHEMBL1682820
Prediction Result:
N/A
GRM6_HUMAN
Docking Scores:
-6.86
-7.73
-7.02
Similarity Score:
22.08%
Best Match:
CHEMBL280563
Prediction Result:
Inactive98.41%
GRM7_HUMAN
Docking Scores:
-6.92
-6.22
-6.49
Similarity Score:
49.00%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%
GRM8_HUMAN
Docking Scores:
-5.50
-5.55
-5.31
Similarity Score:
49.00%
Best Match:
CHEMBL432038
Prediction Result:
Inactive96.70%