Anti-pain drug nv1 #225 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Icatibant
OPRX_HUMAN

Docking Scores:
-8.30 -8.42 -8.76
Similarity Score:
60.77%
Best Match:
CHEMBL507269

L: Nefazodone
OPRX_HUMAN

Docking Scores:
-8.00 -8.05 -7.71
Similarity Score:
42.58%
Best Match:
CHEMBL260555

L: Balsalazide
OPRX_HUMAN

Docking Scores:
-7.58 -7.19 -8.06
Similarity Score:
37.60%
Best Match:
CHEMBL233493

L: Alfentanil
OPRX_HUMAN

Docking Scores:
-6.99 -6.94 -7.15
Similarity Score:
54.68%
Best Match:
CHEMBL28198

L: Carbamoylcholine
OPRX_HUMAN

Docking Scores:
-3.88 -3.97 -4.03
Similarity Score:
21.37%
Best Match:
CHEMBL381287

L: Icatibant
P2RX3_HUMAN

Docking Scores:
-6.37 -6.29 -5.18
Similarity Score:
44.29%
Best Match:
CHEMBL397926

L: Nefazodone
P2RX3_HUMAN

Docking Scores:
-6.37 -6.37 -5.43
Similarity Score:
40.38%
Best Match:
CHEMBL3957828

L: Balsalazide
P2RX3_HUMAN

Docking Scores:
-6.29 -5.97 -5.99
Similarity Score:
38.64%
Best Match:
CHEMBL2376118

L: Alfentanil
P2RX3_HUMAN

Docking Scores:
-5.65 -5.35 -5.29
Similarity Score:
38.89%
Best Match:
CHEMBL3669852

L: Carbamoylcholine
P2RX3_HUMAN

Docking Scores:
-3.51 -3.39 -3.42
Similarity Score:
13.38%
Best Match:
CHEMBL3669852

L: Icatibant
P2Y12_HUMAN

Docking Scores:
-8.21 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
P2Y12_HUMAN

Docking Scores:
-9.34 -8.67 -9.59
Similarity Score:
29.88%
Best Match:
CHEMBL3325894

L: Balsalazide
P2Y12_HUMAN

Docking Scores:
-9.68 -7.71 -9.17
Similarity Score:
31.37%
Best Match:
CHEMBL599606

L: Alfentanil
P2Y12_HUMAN

Docking Scores:
-7.13 -2.60 -7.01
Similarity Score:
36.52%
Best Match:
CHEMBL90804

L: Carbamoylcholine
P2Y12_HUMAN

Docking Scores:
-4.07 -4.41 -4.70
Similarity Score:
15.65%
Best Match:
CHEMBL599606

L: Icatibant
PAR1_HUMAN

Docking Scores:
-7.51
Similarity Score:
54.29%
Best Match:
CHEMBL4065100

L: Nefazodone
PAR1_HUMAN

Docking Scores:
-10.17
Similarity Score:
31.42%
Best Match:
CHEMBL3704471

L: Balsalazide
PAR1_HUMAN

Docking Scores:
-8.51
Similarity Score:
38.16%
Best Match:
CHEMBL80623

L: Alfentanil
PAR1_HUMAN

Docking Scores:
-5.97
Similarity Score:
43.33%
Best Match:
CHEMBL3658403

L: Carbamoylcholine
PAR1_HUMAN

Docking Scores:
-4.24
Similarity Score:
20.49%
Best Match:
CHEMBL3658412