Anti-pain drug nv1 #225 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Icatibant
AOFA_HUMAN

Docking Scores:
9.00 ? ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
AOFA_HUMAN

Docking Scores:
-10.56 -10.20 -10.22
Similarity Score:
32.98%
Best Match:
CHEMBL4089754

L: Balsalazide
AOFA_HUMAN

Docking Scores:
-9.49 -9.49 -10.17
Similarity Score:
40.40%
Best Match:
CHEMBL3407586

L: Alfentanil
AOFA_HUMAN

Docking Scores:
-8.53 -8.49 -8.88
Similarity Score:
37.44%
Best Match:
CHEMBL394864

L: Carbamoylcholine
AOFA_HUMAN

Docking Scores:
-4.37 -4.45 -4.76
Similarity Score:
23.47%
Best Match:
CHEMBL3780524

L: Icatibant
AOFB_HUMAN

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

L: Nefazodone
AOFB_HUMAN

Docking Scores:
-10.38 -10.43 -10.28
Similarity Score:
34.87%
Best Match:
CHEMBL4104691

L: Balsalazide
AOFB_HUMAN

Docking Scores:
-9.77 -10.29 -9.88
Similarity Score:
42.06%
Best Match:
CHEMBL2426047

L: Alfentanil
AOFB_HUMAN

Docking Scores:
-9.57 -8.75 -8.72
Similarity Score:
31.33%
Best Match:
CHEMBL3781329

L: Carbamoylcholine
AOFB_HUMAN

Docking Scores:
-4.49 -4.56 -4.57
Similarity Score:
18.68%
Best Match:
CHEMBL3781329

L: Icatibant
BACE1_HUMAN

Docking Scores:
-8.28 -9.18 -7.99
Similarity Score:
64.68%
Best Match:
CHEMBL1773545

L: Nefazodone
BACE1_HUMAN

Docking Scores:
-7.51 -7.56 -8.13
Similarity Score:
32.46%
Best Match:
CHEMBL3747119

L: Balsalazide
BACE1_HUMAN

Docking Scores:
-6.88 -7.40 -8.48
Similarity Score:
41.73%
Best Match:
CHEMBL190644

L: Alfentanil
BACE1_HUMAN

Docking Scores:
-6.77 -6.97 -7.51
Similarity Score:
46.43%
Best Match:
CHEMBL1645517

L: Carbamoylcholine
BACE1_HUMAN

Docking Scores:
-3.96 -4.05 -3.94
Similarity Score:
19.23%
Best Match:
CHEMBL211256

L: Icatibant
CAH2_HUMAN

Docking Scores:
-7.34 -8.13 -4.80
Similarity Score:
49.04%
Best Match:
CHEMBL306510

L: Nefazodone
CAH2_HUMAN

Docking Scores:
-7.94 -7.85 -8.02
Similarity Score:
31.84%
Best Match:
CHEMBL4100795

L: Balsalazide
CAH2_HUMAN

Docking Scores:
-7.84 -8.02 -7.65
Similarity Score:
47.37%
Best Match:
CHEMBL51534

L: Alfentanil
CAH2_HUMAN

Docking Scores:
-7.34 -6.93 -6.84
Similarity Score:
37.67%
Best Match:
CHEMBL183450

L: Carbamoylcholine
CAH2_HUMAN

Docking Scores:
-4.67 -4.58 -4.60
Similarity Score:
32.50%
Best Match:
CHEMBL2380745