Anti-pain drug nv1 #225 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Icatibant
MDR1_HUMAN

Docking Scores:
-9.22 -8.74
Similarity Score:
49.33%
Best Match:
CHEMBL2074676

L: Nefazodone
MDR1_HUMAN

Docking Scores:
-8.63 -8.46
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
MDR1_HUMAN

Docking Scores:
-8.40 -8.54
Similarity Score:
44.86%
Best Match:
CHEMBL2074727

L: Alfentanil
MDR1_HUMAN

Docking Scores:
-7.61 -7.38
Similarity Score:
38.46%
Best Match:
CHEMBL1008

L: Carbamoylcholine
MDR1_HUMAN

Docking Scores:
-4.32 -4.18
Similarity Score:
30.16%
Best Match:
CHEMBL1201219

L: Icatibant
MIF_HUMAN

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

L: Nefazodone
MIF_HUMAN

Docking Scores:
-7.69 -8.17 -7.53
Similarity Score:
24.36%
Best Match:
CHEMBL3897449

L: Balsalazide
MIF_HUMAN

Docking Scores:
-6.53 -7.52 -7.23
Similarity Score:
36.76%
Best Match:
CHEMBL1604170

L: Alfentanil
MIF_HUMAN

Docking Scores:
-6.67 -6.89 -5.50
Similarity Score:
23.50%
Best Match:
CHEMBL554271

L: Carbamoylcholine
MIF_HUMAN

Docking Scores:
-4.30 -4.50 -4.16
Similarity Score:
14.56%
Best Match:
CHEMBL1604170

L: Icatibant
MK01_HUMAN

Docking Scores:
-7.10 -7.34 0.49
Similarity Score:
48.62%
Best Match:
CHEMBL3752989

L: Nefazodone
MK01_HUMAN

Docking Scores:
-8.27 -7.95 -8.78
Similarity Score:
35.18%
Best Match:
CHEMBL3398598

L: Balsalazide
MK01_HUMAN

Docking Scores:
-8.29 -7.52 -6.90
Similarity Score:
38.67%
Best Match:
CHEMBL3799370

L: Alfentanil
MK01_HUMAN

Docking Scores:
-6.36 -7.08 -7.23
Similarity Score:
38.67%
Best Match:
CHEMBL3398602

L: Carbamoylcholine
MK01_HUMAN

Docking Scores:
-4.01 -3.88 -4.12
Similarity Score:
17.44%
Best Match:
CHEMBL1974288

L: Icatibant
MK03_HUMAN

Docking Scores:
-3.34 -7.96 -8.18
Similarity Score:
38.46%
Best Match:
CHEMBL3113587

L: Nefazodone
MK03_HUMAN

Docking Scores:
-9.03 -9.58 -8.54
Similarity Score:
29.52%
Best Match:
CHEMBL3590107

L: Balsalazide
MK03_HUMAN

Docking Scores:
-8.21 -9.14 -8.11
Similarity Score:
36.81%
Best Match:
CHEMBL3798163

L: Alfentanil
MK03_HUMAN

Docking Scores:
-6.87 -6.72 -7.54
Similarity Score:
30.65%
Best Match:
CHEMBL3590107

L: Carbamoylcholine
MK03_HUMAN

Docking Scores:
-4.04 -3.87 -4.35
Similarity Score:
16.50%
Best Match:
CHEMBL3113587