anti-pain drug v3 #222 Output Download CSV

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

Docking Scores:
-6.74
Similarity Score:
9.23%
Best Match:
CHEMBL191413

L: Alfentanil
CXCR1_HUMAN

Docking Scores:
-4.35
Similarity Score:
29.73%
Best Match:
CHEMBL3701188

L: Pimecrolimus
CXCR1_HUMAN

Docking Scores:
97.35
Similarity Score:
25.94%
Best Match:
CHEMBL3701188

L: Levacetylmethadol
CXCR1_HUMAN

Docking Scores:
-5.19
Similarity Score:
27.27%
Best Match:
CHEMBL191413

L: Rofecoxib
CXCR1_HUMAN

Docking Scores:
-6.39
Similarity Score:
26.09%
Best Match:
CHEMBL191413

L: Amantadine
CXCR4_HUMAN

Docking Scores:
-5.86 -4.26 -5.16
Similarity Score:
21.57%
Best Match:
CHEMBL2170299

L: Alfentanil
CXCR4_HUMAN

Docking Scores:
-8.23 -6.86 -7.36
Similarity Score:
31.77%
Best Match:
CHEMBL3893083

L: Pimecrolimus
CXCR4_HUMAN

Docking Scores:
-9.63 -8.56 -10.26
Similarity Score:
48.03%
Best Match:
CHEMBL1221944

L: Levacetylmethadol
CXCR4_HUMAN

Docking Scores:
-7.59 -6.00 -6.87
Similarity Score:
34.62%
Best Match:
CHEMBL366033

L: Rofecoxib
CXCR4_HUMAN

Docking Scores:
-8.63 -6.90 -7.70
Similarity Score:
27.13%
Best Match:
CHEMBL126657

L: Amantadine
DRD2_HUMAN

Docking Scores:
-6.40
Similarity Score:
23.64%
Best Match:
CHEMBL78916

L: Alfentanil
DRD2_HUMAN

Docking Scores:
-7.37
Similarity Score:
45.45%
Best Match:
CHEMBL1242923

L: Pimecrolimus
DRD2_HUMAN

Docking Scores:
-8.88
Similarity Score:
35.95%
Best Match:
CHEMBL1909065

L: Levacetylmethadol
DRD2_HUMAN

Docking Scores:
-6.87
Similarity Score:
52.53%
Best Match:
CHEMBL2308105

L: Rofecoxib
DRD2_HUMAN

Docking Scores:
-8.01
Similarity Score:
38.89%
Best Match:
CHEMBL2368629

L: Amantadine
DRD3_HUMAN

Docking Scores:
-6.04
Similarity Score:
26.53%
Best Match:
CHEMBL165381

L: Alfentanil
DRD3_HUMAN

Docking Scores:
-7.42
Similarity Score:
40.14%
Best Match:
CHEMBL3354072

L: Pimecrolimus
DRD3_HUMAN

Docking Scores:
3.59
Similarity Score:
48.33%
Best Match:
CHEMBL1200633

L: Levacetylmethadol
DRD3_HUMAN

Docking Scores:
-6.15
Similarity Score:
56.41%
Best Match:
CHEMBL936

L: Rofecoxib
DRD3_HUMAN

Docking Scores:
-9.52
Similarity Score:
38.89%
Best Match:
CHEMBL2368629