LTJv2 #75 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
CASP1_HUMAN

Docking Scores:
-6.11 -7.50 -6.69
Similarity Score:
33.33%
Best Match:
CHEMBL269599

L: Indomethacin
CASP1_HUMAN

Docking Scores:
-6.27 -6.91 -6.82
Similarity Score:
50.60%
Best Match:
CHEMBL1221644

L: Fenbufen
CASP1_HUMAN

Docking Scores:
-6.42 -7.66 -6.64
Similarity Score:
41.76%
Best Match:
CHEMBL1221546

L: Celecoxib
CASP1_HUMAN

Docking Scores:
-6.89 -8.40 -6.88
Similarity Score:
31.31%
Best Match:
CHEMBL269599

L: Diclofenac
CASP1_HUMAN

Docking Scores:
-5.75 -6.77 -5.58
Similarity Score:
32.35%
Best Match:
CHEMBL78154

L: Etoricoxib
CDK5_HUMAN

Docking Scores:
-7.96 -8.69 -7.04
Similarity Score:
40.82%
Best Match:
CHEMBL1972988

L: Indomethacin
CDK5_HUMAN

Docking Scores:
-8.26 -9.52 -9.53
Similarity Score:
48.52%
Best Match:
CHEMBL1970352

L: Fenbufen
CDK5_HUMAN

Docking Scores:
-8.10 -8.22 -9.49
Similarity Score:
37.63%
Best Match:
CHEMBL1974288

L: Celecoxib
CDK5_HUMAN

Docking Scores:
-8.49 -9.50 -8.72
Similarity Score:
40.00%
Best Match:
CHEMBL1974574

L: Diclofenac
CDK5_HUMAN

Docking Scores:
-7.33 -7.84 -8.35
Similarity Score:
46.43%
Best Match:
CHEMBL1991734

L: Etoricoxib
CHLE_HUMAN

Docking Scores:
-9.50 -9.12 -9.01
Similarity Score:
42.74%
Best Match:
CHEMBL3954861

L: Indomethacin
CHLE_HUMAN

Docking Scores:
-9.17 -9.33 -9.45
Similarity Score:
51.85%
Best Match:
CHEMBL3628186

L: Fenbufen
CHLE_HUMAN

Docking Scores:
-8.19 -8.11 -8.28
Similarity Score:
47.95%
Best Match:
CHEMBL51931

L: Celecoxib
CHLE_HUMAN

Docking Scores:
-9.24 -9.66 -9.60
Similarity Score:
35.29%
Best Match:
CHEMBL543711

L: Diclofenac
CHLE_HUMAN

Docking Scores:
-8.65 -8.20 -8.70
Similarity Score:
45.59%
Best Match:
CHEMBL3087676

L: Etoricoxib
CNR1_HUMAN

Docking Scores:
-7.92 -10.30 -10.40
Similarity Score:
54.48%
Best Match:
CHEMBL247103

L: Indomethacin
CNR1_HUMAN

Docking Scores:
-7.56 -9.31 -10.10
Similarity Score:
56.76%
Best Match:
CHEMBL2206858

L: Fenbufen
CNR1_HUMAN

Docking Scores:
-8.19 -8.76 -9.17
Similarity Score:
62.50%
Best Match:
CHEMBL234014

L: Celecoxib
CNR1_HUMAN

Docking Scores:
-10.25 -10.76 -11.48
Similarity Score:
50.75%
Best Match:
CHEMBL1765672

L: Diclofenac
CNR1_HUMAN

Docking Scores:
-7.80 -8.14 -8.82
Similarity Score:
46.55%
Best Match:
CHEMBL3936647