anti-pain drug v2 #221 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Aspirin
OPRX_HUMAN

Docking Scores:
-5.82 -5.74 -5.84
Similarity Score:
35.00%
Best Match:
CHEMBL201805

L: Mesalazine
OPRX_HUMAN

Docking Scores:
-5.36 -5.64 -5.52
Similarity Score:
32.17%
Best Match:
CHEMBL422641

L: Sulfasalazine
OPRX_HUMAN

Docking Scores:
-8.19 -8.33 -9.28
Similarity Score:
27.42%
Best Match:
CHEMBL140580

L: Methotrimeprazine
OPRX_HUMAN

Docking Scores:
-6.50 -6.38 -6.19
Similarity Score:
37.93%
Best Match:
CHEMBL357076

L: Ketamine
OPRX_HUMAN

Docking Scores:
-6.32 -6.25 -6.64
Similarity Score:
66.67%
Best Match:
CHEMBL512414

L: Aspirin
P2RX3_HUMAN

Docking Scores:
-5.33 -4.52 -4.69
Similarity Score:
28.57%
Best Match:
CHEMBL3919713

L: Mesalazine
P2RX3_HUMAN

Docking Scores:
-4.82 -4.87 -5.00
Similarity Score:
28.45%
Best Match:
CHEMBL3926652

L: Sulfasalazine
P2RX3_HUMAN

Docking Scores:
-6.82 -6.42 -6.86
Similarity Score:
40.21%
Best Match:
CHEMBL2376118

L: Methotrimeprazine
P2RX3_HUMAN

Docking Scores:
-4.69 -4.76 -4.93
Similarity Score:
24.48%
Best Match:
CHEMBL3679748

L: Ketamine
P2RX3_HUMAN

Docking Scores:
-4.83 -4.75 -4.80
Similarity Score:
38.78%
Best Match:
CHEMBL3679792

L: Aspirin
P2Y12_HUMAN

Docking Scores:
-6.87 -6.37 -6.94
Similarity Score:
33.64%
Best Match:
CHEMBL327374

L: Mesalazine
P2Y12_HUMAN

Docking Scores:
-6.08 -6.29 -6.21
Similarity Score:
31.37%
Best Match:
CHEMBL327374

L: Sulfasalazine
P2Y12_HUMAN

Docking Scores:
-9.70 -8.38 -9.64
Similarity Score:
36.89%
Best Match:
CHEMBL2402273

L: Methotrimeprazine
P2Y12_HUMAN

Docking Scores:
-6.60 -3.62 -5.17
Similarity Score:
26.72%
Best Match:
CHEMBL509456

L: Ketamine
P2Y12_HUMAN

Docking Scores:
-6.75 -7.12 -7.89
Similarity Score:
37.69%
Best Match:
CHEMBL88799

L: Aspirin
PAR1_HUMAN

Docking Scores:
-7.46
Similarity Score:
30.00%
Best Match:
CHEMBL2048425

L: Mesalazine
PAR1_HUMAN

Docking Scores:
-6.22
Similarity Score:
33.03%
Best Match:
CHEMBL97706

L: Sulfasalazine
PAR1_HUMAN

Docking Scores:
-10.23
Similarity Score:
28.89%
Best Match:
CHEMBL98805

L: Methotrimeprazine
PAR1_HUMAN

Docking Scores:
-7.06
Similarity Score:
32.26%
Best Match:
CHEMBL80672

L: Ketamine
PAR1_HUMAN

Docking Scores:
-8.02
Similarity Score:
43.14%
Best Match:
CHEMBL3658406