On Target ABCG2_HUMAN 0.675/CHEMBL386630
For the given ligand Betulinic acid, we have found in our database that, being scored 0.675, the most similar ligand is CHEMBL386630. Check out the elaboration below.
| Betulinic acid (Given Ligand) | CHEMBL386630 (Similar Ligand) |
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| C=C(C)[C@@H]4CC[C@]5(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]2[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC[C@]23C)[C@@H]45 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O |
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| 00010000 01000000 00000000 00000000 00080000 00000000 00000000 00000400 00000000 00108008 00000000 40001000 04008008 00800000 00000400 00080008 00000000 00000000 02402000 00000001 00000000 00000a00 01000000 00000010 00000000 00000000 00000000 80000000 00000000 01000000 24020000 00000000 | 00010000 01000000 00000000 00000000 00080000 00000000 00000080 00000402 01000000 00108000 00000000 40001000 04028008 00800000 00000400 00080008 00000000 00000020 02412000 00000001 00000000 00000280 01008000 00000010 00200000 00000000 00404000 80000000 00000000 01000000 24020000 00000000 |