LTJv2 #75 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
MDR1_HUMAN

Docking Scores:
-9.00 -8.50
Similarity Score:
34.92%
Best Match:
CHEMBL1642

L: Indomethacin
MDR1_HUMAN

Docking Scores:
-8.27 -8.39
Similarity Score:
47.22%
Best Match:
CHEMBL3354882

L: Fenbufen
MDR1_HUMAN

Docking Scores:
-7.62 -8.67
Similarity Score:
47.14%
Best Match:
CHEMBL45068

L: Celecoxib
MDR1_HUMAN

Docking Scores:
-9.71 -9.26
Similarity Score:
40.93%
Best Match:
CHEMBL1521418

L: Diclofenac
MDR1_HUMAN

Docking Scores:
-7.33 -7.51
Similarity Score:
41.05%
Best Match:
CHEMBL72

L: Etoricoxib
MIF_HUMAN

Docking Scores:
-6.51 -7.37 -6.83
Similarity Score:
30.37%
Best Match:
CHEMBL3906441

L: Indomethacin
MIF_HUMAN

Docking Scores:
-6.99 -6.75 -6.24
Similarity Score:
32.24%
Best Match:
CHEMBL1289631

L: Fenbufen
MIF_HUMAN

Docking Scores:
-8.65 -8.63 -8.70
Similarity Score:
31.62%
Best Match:
CHEMBL209588

L: Celecoxib
MIF_HUMAN

Docking Scores:
-6.97 -7.55 -7.07
Similarity Score:
28.50%
Best Match:
CHEMBL153425

L: Diclofenac
MIF_HUMAN

Docking Scores:
-6.09 -6.49 -5.81
Similarity Score:
25.89%
Best Match:
CHEMBL223319

L: Etoricoxib
MK01_HUMAN

Docking Scores:
-8.04 -8.01 -7.63
Similarity Score:
43.79%
Best Match:
CHEMBL3944658

L: Indomethacin
MK01_HUMAN

Docking Scores:
-8.20 -8.47 -7.51
Similarity Score:
42.54%
Best Match:
CHEMBL2005528

L: Fenbufen
MK01_HUMAN

Docking Scores:
-7.85 -7.57 -7.26
Similarity Score:
40.40%
Best Match:
CHEMBL1998545

L: Celecoxib
MK01_HUMAN

Docking Scores:
-9.00 -8.55 -7.70
Similarity Score:
39.55%
Best Match:
CHEMBL4108598

L: Diclofenac
MK01_HUMAN

Docking Scores:
-7.07 -7.62 -7.94
Similarity Score:
33.06%
Best Match:
CHEMBL2003341

L: Etoricoxib
MK03_HUMAN

Docking Scores:
-8.30 -9.06 -8.33
Similarity Score:
36.99%
Best Match:
CHEMBL1089119

L: Indomethacin
MK03_HUMAN

Docking Scores:
-8.69 -9.01 -7.86
Similarity Score:
41.85%
Best Match:
CHEMBL3798015

L: Fenbufen
MK03_HUMAN

Docking Scores:
-7.94 -8.42 -7.09
Similarity Score:
32.50%
Best Match:
CHEMBL3798926

L: Celecoxib
MK03_HUMAN

Docking Scores:
-7.96 -9.79 -8.31
Similarity Score:
50.00%
Best Match:
CHEMBL2263394

L: Diclofenac
MK03_HUMAN

Docking Scores:
-7.75 -7.65 -7.67
Similarity Score:
25.49%
Best Match:
CHEMBL3798624