On Target IKBA_HUMAN 0.5/CHEMBL1940081
For the given ligand Betulinic acid, we have found in our database that, being scored 0.5, the most similar ligand is CHEMBL1940081. Check out the elaboration below.
| Betulinic acid (Given Ligand) | CHEMBL1940081 (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=C1C(=O)O[C@@H]2[C@H]3[C@H](C)C(=O)CC[C@]3(C)CC[C@@H]12 |
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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 | 00050040 01000000 00000100 00010300 00080000 00000000 02000000 00000400 01000000 00100000 00000000 40009000 04008008 00800000 00080404 00081008 00820000 00000100 02402010 00008001 00000020 00000a00 01000000 00000010 00000400 00000000 00002000 80000000 00000200 00000002 24020000 00000010 |