LTJv1 #74 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Oxycodone
CXCR1_HUMAN

Docking Scores:
-7.74
Similarity Score:
27.64%
Best Match:
CHEMBL490688

L: Morphine
CXCR1_HUMAN

Docking Scores:
-9.20
Similarity Score:
28.19%
Best Match:
CHEMBL490688

L: Methadone
CXCR1_HUMAN

Docking Scores:
-6.45
Similarity Score:
38.27%
Best Match:
CHEMBL191413

L: Pethidine
CXCR1_HUMAN

Docking Scores:
-7.04
Similarity Score:
32.63%
Best Match:
CHEMBL191413

L: Fentanyl
CXCR1_HUMAN

Docking Scores:
-5.19
Similarity Score:
31.10%
Best Match:
CHEMBL561812

L: Oxycodone
CXCR4_HUMAN

Docking Scores:
-8.66 -7.05 -8.07
Similarity Score:
36.61%
Best Match:
CHEMBL3963508

L: Morphine
CXCR4_HUMAN

Docking Scores:
-7.79 -6.35 -7.26
Similarity Score:
33.92%
Best Match:
CHEMBL2029611

L: Methadone
CXCR4_HUMAN

Docking Scores:
-8.09 -6.03 -7.23
Similarity Score:
39.32%
Best Match:
CHEMBL364295

L: Pethidine
CXCR4_HUMAN

Docking Scores:
-7.35 -6.11 -6.43
Similarity Score:
41.13%
Best Match:
CHEMBL366033

L: Fentanyl
CXCR4_HUMAN

Docking Scores:
-7.98 -6.61 -7.56
Similarity Score:
41.88%
Best Match:
CHEMBL2371850

L: Oxycodone
DRD2_HUMAN

Docking Scores:
-8.66
Similarity Score:
61.94%
Best Match:
CHEMBL170976

L: Morphine
DRD2_HUMAN

Docking Scores:
-7.30
Similarity Score:
55.49%
Best Match:
CHEMBL170976

L: Methadone
DRD2_HUMAN

Docking Scores:
-6.73
Similarity Score:
63.24%
Best Match:
CHEMBL1242950

L: Pethidine
DRD2_HUMAN

Docking Scores:
-6.84
Similarity Score:
60.18%
Best Match:
CHEMBL399396

L: Fentanyl
DRD2_HUMAN

Docking Scores:
-7.60
Similarity Score:
70.79%
Best Match:
CHEMBL4091231

L: Oxycodone
DRD3_HUMAN

Docking Scores:
-8.09
Similarity Score:
61.94%
Best Match:
CHEMBL170976

L: Morphine
DRD3_HUMAN

Docking Scores:
-8.50
Similarity Score:
55.49%
Best Match:
CHEMBL170976

L: Methadone
DRD3_HUMAN

Docking Scores:
-6.48
Similarity Score:
62.12%
Best Match:
CHEMBL21731

L: Pethidine
DRD3_HUMAN

Docking Scores:
-6.35
Similarity Score:
60.18%
Best Match:
CHEMBL399396

L: Fentanyl
DRD3_HUMAN

Docking Scores:
-8.25
Similarity Score:
70.79%
Best Match:
CHEMBL4091231