Anti-pain drug nv1 #225 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Icatibant
CXCR1_HUMAN

Docking Scores:
?
Similarity Score:
?
Best Match:
?

L: Nefazodone
CXCR1_HUMAN

Docking Scores:
-1.37
Similarity Score:
24.02%
Best Match:
CHEMBL376621

L: Balsalazide
CXCR1_HUMAN

Docking Scores:
-3.37
Similarity Score:
36.76%
Best Match:
CHEMBL556656

L: Alfentanil
CXCR1_HUMAN

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

L: Carbamoylcholine
CXCR1_HUMAN

Docking Scores:
-5.00
Similarity Score:
11.76%
Best Match:
CHEMBL139

L: Icatibant
CXCR4_HUMAN

Docking Scores:
-7.97 -8.57 -7.13
Similarity Score:
64.93%
Best Match:
CHEMBL3894327

L: Nefazodone
CXCR4_HUMAN

Docking Scores:
-9.57 -7.26 -8.25
Similarity Score:
28.40%
Best Match:
CHEMBL1256528

L: Balsalazide
CXCR4_HUMAN

Docking Scores:
-8.32 -7.86 -6.91
Similarity Score:
31.85%
Best Match:
CHEMBL2062277

L: Alfentanil
CXCR4_HUMAN

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

L: Carbamoylcholine
CXCR4_HUMAN

Docking Scores:
-4.92 -4.19 -3.73
Similarity Score:
17.72%
Best Match:
CHEMBL3948266

L: Icatibant
DRD2_HUMAN

Docking Scores:
-7.15
Similarity Score:
50.00%
Best Match:
CHEMBL3647674

L: Nefazodone
DRD2_HUMAN

Docking Scores:
-9.18
Similarity Score:
43.60%
Best Match:
CHEMBL2165134

L: Balsalazide
DRD2_HUMAN

Docking Scores:
-8.74
Similarity Score:
42.15%
Best Match:
CHEMBL3759491

L: Alfentanil
DRD2_HUMAN

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

L: Carbamoylcholine
DRD2_HUMAN

Docking Scores:
-4.44
Similarity Score:
23.33%
Best Match:
CHEMBL128524

L: Icatibant
DRD3_HUMAN

Docking Scores:
-3.57
Similarity Score:
43.95%
Best Match:
CHEMBL559873

L: Nefazodone
DRD3_HUMAN

Docking Scores:
-9.01
Similarity Score:
42.86%
Best Match:
CHEMBL199824

L: Balsalazide
DRD3_HUMAN

Docking Scores:
-8.99
Similarity Score:
42.15%
Best Match:
CHEMBL3758330

L: Alfentanil
DRD3_HUMAN

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

L: Carbamoylcholine
DRD3_HUMAN

Docking Scores:
-4.76
Similarity Score:
36.54%
Best Match:
CHEMBL1123