LTJv2 #75 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
CXCR1_HUMAN

Docking Scores:
-3.52
Similarity Score:
24.61%
Best Match:
CHEMBL3342269

L: Indomethacin
CXCR1_HUMAN

Docking Scores:
-1.27
Similarity Score:
28.57%
Best Match:
CHEMBL518857

L: Fenbufen
CXCR1_HUMAN

Docking Scores:
-7.43
Similarity Score:
30.95%
Best Match:
CHEMBL191413

L: Celecoxib
CXCR1_HUMAN

Docking Scores:
-0.80
Similarity Score:
28.65%
Best Match:
CHEMBL3609011

L: Diclofenac
CXCR1_HUMAN

Docking Scores:
-7.66
Similarity Score:
100.00%
Best Match:
CHEMBL139

L: Etoricoxib
CXCR4_HUMAN

Docking Scores:
-8.98 -7.25 -8.24
Similarity Score:
26.46%
Best Match:
CHEMBL3627862

L: Indomethacin
CXCR4_HUMAN

Docking Scores:
-8.31 -6.94 -7.89
Similarity Score:
39.18%
Best Match:
CHEMBL1644072

L: Fenbufen
CXCR4_HUMAN

Docking Scores:
-8.31 -7.00 -7.54
Similarity Score:
27.20%
Best Match:
CHEMBL366033

L: Celecoxib
CXCR4_HUMAN

Docking Scores:
-9.31 -7.88 -8.59
Similarity Score:
35.27%
Best Match:
CHEMBL4100900

L: Diclofenac
CXCR4_HUMAN

Docking Scores:
-7.70 -6.68 -7.09
Similarity Score:
28.18%
Best Match:
CHEMBL3908835

L: Etoricoxib
DRD2_HUMAN

Docking Scores:
-8.80
Similarity Score:
38.26%
Best Match:
CHEMBL91463

L: Indomethacin
DRD2_HUMAN

Docking Scores:
-8.01
Similarity Score:
53.99%
Best Match:
CHEMBL245764

L: Fenbufen
DRD2_HUMAN

Docking Scores:
-9.03
Similarity Score:
45.00%
Best Match:
CHEMBL1258270

L: Celecoxib
DRD2_HUMAN

Docking Scores:
-8.93
Similarity Score:
46.03%
Best Match:
CHEMBL3084605

L: Diclofenac
DRD2_HUMAN

Docking Scores:
-7.22
Similarity Score:
46.53%
Best Match:
CHEMBL415

L: Etoricoxib
DRD3_HUMAN

Docking Scores:
-7.85
Similarity Score:
36.84%
Best Match:
CHEMBL244773

L: Indomethacin
DRD3_HUMAN

Docking Scores:
-8.18
Similarity Score:
62.43%
Best Match:
CHEMBL461571

L: Fenbufen
DRD3_HUMAN

Docking Scores:
-8.20
Similarity Score:
45.00%
Best Match:
CHEMBL1258270

L: Celecoxib
DRD3_HUMAN

Docking Scores:
-8.14
Similarity Score:
46.03%
Best Match:
CHEMBL3084605

L: Diclofenac
DRD3_HUMAN

Docking Scores:
-7.96
Similarity Score:
46.53%
Best Match:
CHEMBL415