Extended Data Table 1.
Molecules with μOR activity identified in the initial screen
Cmpd | Structure | Rank | Tca | μOR Ki (μM) | Nearest ChEMBL μOR ligand |
---|---|---|---|---|---|
1 |
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467 | 0.28 | 7.2 |
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2 |
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358 | 0.28 | 5.8 |
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3 |
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1281 | 0.30 | 13.8 |
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4 |
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1465 | 0.30 | 2.3 |
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5 |
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2418 | 0.31 | 4.7 |
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6 |
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2211 | 0.30 | 10.0 |
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7 |
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1140 | 0.30 | 2.5 |
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The ECFP4 Tanimoto similarity (Tc) to the most similar μOR ligand in ChEMBL16.