LTJv2 #75 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
DRD4_HUMAN

Docking Scores:
-8.89 -9.07
Similarity Score:
33.51%
Best Match:
CHEMBL91553

L: Indomethacin
DRD4_HUMAN

Docking Scores:
-8.83 -8.63
Similarity Score:
43.64%
Best Match:
CHEMBL460854

L: Fenbufen
DRD4_HUMAN

Docking Scores:
-7.94 -8.05
Similarity Score:
45.00%
Best Match:
CHEMBL1258270

L: Celecoxib
DRD4_HUMAN

Docking Scores:
-9.19 -9.52
Similarity Score:
43.64%
Best Match:
CHEMBL24809

L: Diclofenac
DRD4_HUMAN

Docking Scores:
-8.10 -8.17
Similarity Score:
38.84%
Best Match:
CHEMBL322326

L: Etoricoxib
EDN1_HUMAN

Docking Scores:
-7.86
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
EDN1_HUMAN

Docking Scores:
-7.02
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
EDN1_HUMAN

Docking Scores:
-7.91
Similarity Score:
N/A
Best Match:
N/A

L: Celecoxib
EDN1_HUMAN

Docking Scores:
-7.94
Similarity Score:
N/A
Best Match:
N/A

L: Diclofenac
EDN1_HUMAN

Docking Scores:
-6.83
Similarity Score:
N/A
Best Match:
N/A

L: Etoricoxib
ESR1_HUMAN

Docking Scores:
-9.12 -9.58 -9.43
Similarity Score:
46.46%
Best Match:
CHEMBL371012

L: Indomethacin
ESR1_HUMAN

Docking Scores:
-6.88 -8.02 -8.01
Similarity Score:
62.90%
Best Match:
CHEMBL396118

L: Fenbufen
ESR1_HUMAN

Docking Scores:
-8.25 -7.71 -7.78
Similarity Score:
47.14%
Best Match:
CHEMBL45068

L: Celecoxib
ESR1_HUMAN

Docking Scores:
-10.08 -10.11 -9.98
Similarity Score:
58.93%
Best Match:
CHEMBL481189

L: Diclofenac
ESR1_HUMAN

Docking Scores:
-7.95 -7.67 -7.73
Similarity Score:
36.63%
Best Match:
CHEMBL3234617

L: Etoricoxib
FABP5_HUMAN

Docking Scores:
-8.66 -7.10 -6.31
Similarity Score:
34.59%
Best Match:
CHEMBL3971182

L: Indomethacin
FABP5_HUMAN

Docking Scores:
-9.13 -6.06 -6.31
Similarity Score:
35.86%
Best Match:
CHEMBL3950316

L: Fenbufen
FABP5_HUMAN

Docking Scores:
-7.50 -5.37 -5.85
Similarity Score:
26.79%
Best Match:
CHEMBL82293

L: Celecoxib
FABP5_HUMAN

Docking Scores:
-9.25 -7.21 -6.48
Similarity Score:
44.12%
Best Match:
CHEMBL394440

L: Diclofenac
FABP5_HUMAN

Docking Scores:
-7.55 -5.19 -5.40
Similarity Score:
34.48%
Best Match:
CHEMBL212860