JEFFO job 580 #264 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: HU-580
CXCR1_HUMAN

Docking Scores:
-3.93
Similarity Score:
25.37%
Best Match:
CHEMBL518355
Prediction Result:
N/A

L: CBDA
CXCR1_HUMAN

Docking Scores:
-5.57
Similarity Score:
26.53%
Best Match:
CHEMBL518355
Prediction Result:
N/A

L: HU-580
CXCR2_HUMAN

Docking Scores:
-8.18 -7.21 -6.96
Similarity Score:
29.94%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive64.55%

L: CBDA
CXCR2_HUMAN

Docking Scores:
-8.48 -7.00 -6.74
Similarity Score:
30.82%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive72.64%

L: HU-580
CXCR3_HUMAN

Docking Scores:
-7.89 -7.95 -7.91
Similarity Score:
33.33%
Best Match:
CHEMBL2205063
Prediction Result:
Inactive96.64%

L: CBDA
CXCR3_HUMAN

Docking Scores:
-7.98 -8.28 -8.05
Similarity Score:
33.57%
Best Match:
CHEMBL2205063
Prediction Result:
Inactive95.36%

L: HU-580
CXCR4_HUMAN

Docking Scores:
-7.97 -6.82 -7.16
Similarity Score:
31.69%
Best Match:
CHEMBL126657
Prediction Result:
N/A

L: CBDA
CXCR4_HUMAN

Docking Scores:
-7.72 -7.09 -6.98
Similarity Score:
32.84%
Best Match:
CHEMBL126657
Prediction Result:
N/A

L: HU-580
DRD1_HUMAN

Docking Scores:
-7.96 -8.12 -8.43
Similarity Score:
46.84%
Best Match:
CHEMBL598730
Prediction Result:
Active69.20%

L: CBDA
DRD1_HUMAN

Docking Scores:
-8.37 -8.61 -7.70
Similarity Score:
44.00%
Best Match:
CHEMBL598915
Prediction Result:
Active52.03%

L: HU-580
DRD2_HUMAN

Docking Scores:
-6.94
Similarity Score:
47.41%
Best Match:
CHEMBL40634
Prediction Result:
N/A

L: CBDA
DRD2_HUMAN

Docking Scores:
-9.53
Similarity Score:
44.00%
Best Match:
CHEMBL598915
Prediction Result:
N/A

L: HU-580
DRD3_HUMAN

Docking Scores:
-7.62
Similarity Score:
48.55%
Best Match:
CHEMBL4082631
Prediction Result:
N/A

L: CBDA
DRD3_HUMAN

Docking Scores:
-7.72
Similarity Score:
50.77%
Best Match:
CHEMBL4082631
Prediction Result:
N/A

L: HU-580
DRD4_HUMAN

Docking Scores:
-8.54 -8.49
Similarity Score:
38.57%
Best Match:
CHEMBL1256169
Prediction Result:
N/A

L: CBDA
DRD4_HUMAN

Docking Scores:
-8.04 -8.05
Similarity Score:
40.15%
Best Match:
CHEMBL1256169
Prediction Result:
N/A

L: HU-580
DRD5_HUMAN

Docking Scores:
-9.12 -9.73 -7.60
Similarity Score:
46.84%
Best Match:
CHEMBL598730
Prediction Result:
Inactive52.52%

L: CBDA
DRD5_HUMAN

Docking Scores:
-9.15 -9.02 -7.98
Similarity Score:
42.04%
Best Match:
CHEMBL598730
Prediction Result:
Active70.13%

L: HU-580
EDNRA_HUMAN

Docking Scores:
-7.44 -7.28 -7.31
Similarity Score:
38.98%
Best Match:
CHEMBL10847
Prediction Result:
Inactive58.66%

L: CBDA
EDNRA_HUMAN

Docking Scores:
-7.27 -7.30 -7.44
Similarity Score:
40.24%
Best Match:
CHEMBL10847
Prediction Result:
Inactive55.03%