On Target MDR1_HUMAN 0.8666667/CHEMBL486954
For the given ligand Polygodial, we have found in our database that, being scored 0.8666667, the most similar ligand is CHEMBL486954. Check out the elaboration below.
| Polygodial (Given Ligand) | CHEMBL486954 (Similar Ligand) |
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| CC(=O)C2CCC1C(CCC[C@]1(C)C)C2C(C)=O | CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
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| 00010000 01000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 40001000 04008008 00000000 00000000 00000000 00000000 00000000 02002000 00000001 00000000 00000200 00000000 00000010 00000000 00000000 00000000 00000000 00000002 00000000 00020000 00000000 | 00010000 01000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 40001000 04008008 00000000 00000000 00000000 00000000 00000000 02002000 00000001 00000000 00000200 00000000 00000010 00000000 00000000 00000000 00000000 00000000 01000000 00020000 00000000 |