anti-pain drug v2 #221 Output Download CSV

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

Docking Scores:
-6.85
Similarity Score:
23.78%
Best Match:
CHEMBL464302

L: Mesalazine
CXCR1_HUMAN

Docking Scores:
-6.60
Similarity Score:
30.23%
Best Match:
CHEMBL464302

L: Sulfasalazine
CXCR1_HUMAN

Docking Scores:
-4.95
Similarity Score:
27.86%
Best Match:
CHEMBL376621

L: Methotrimeprazine
CXCR1_HUMAN

Docking Scores:
-4.38
Similarity Score:
21.35%
Best Match:
CHEMBL3891755

L: Ketamine
CXCR1_HUMAN

Docking Scores:
-7.53
Similarity Score:
34.38%
Best Match:
CHEMBL191413

L: Aspirin
CXCR4_HUMAN

Docking Scores:
-6.56 -5.81 -5.82
Similarity Score:
30.00%
Best Match:
CHEMBL126657

L: Mesalazine
CXCR4_HUMAN

Docking Scores:
-5.98 -5.83 -5.68
Similarity Score:
27.37%
Best Match:
CHEMBL126657

L: Sulfasalazine
CXCR4_HUMAN

Docking Scores:
-8.85 -7.91 -7.49
Similarity Score:
28.44%
Best Match:
CHEMBL4100900

L: Methotrimeprazine
CXCR4_HUMAN

Docking Scores:
-6.94 -5.96 -7.15
Similarity Score:
30.11%
Best Match:
CHEMBL2170299

L: Ketamine
CXCR4_HUMAN

Docking Scores:
-7.83 -5.28 -7.24
Similarity Score:
41.18%
Best Match:
CHEMBL2170299

L: Aspirin
DRD2_HUMAN

Docking Scores:
-5.97
Similarity Score:
40.26%
Best Match:
CHEMBL128313

L: Mesalazine
DRD2_HUMAN

Docking Scores:
-6.01
Similarity Score:
37.74%
Best Match:
CHEMBL3104523

L: Sulfasalazine
DRD2_HUMAN

Docking Scores:
-10.06
Similarity Score:
39.47%
Best Match:
CHEMBL231326

L: Methotrimeprazine
DRD2_HUMAN

Docking Scores:
-6.72
Similarity Score:
37.14%
Best Match:
CHEMBL3799986

L: Ketamine
DRD2_HUMAN

Docking Scores:
-6.96
Similarity Score:
55.10%
Best Match:
CHEMBL239539

L: Aspirin
DRD3_HUMAN

Docking Scores:
-6.08
Similarity Score:
39.24%
Best Match:
CHEMBL334545

L: Mesalazine
DRD3_HUMAN

Docking Scores:
-5.72
Similarity Score:
39.13%
Best Match:
CHEMBL286494

L: Sulfasalazine
DRD3_HUMAN

Docking Scores:
-9.80
Similarity Score:
39.47%
Best Match:
CHEMBL231326

L: Methotrimeprazine
DRD3_HUMAN

Docking Scores:
-6.78
Similarity Score:
36.54%
Best Match:
CHEMBL1201203

L: Ketamine
DRD3_HUMAN

Docking Scores:
-7.09
Similarity Score:
55.10%
Best Match:
CHEMBL239539