On Target CXCR4_HUMAN 0.33333334/CHEMBL441687
For the given ligand Betulinic acid, we have found in our database that, being scored 0.33333334, the most similar ligand is CHEMBL441687. Check out the elaboration below.
| Betulinic acid (Given Ligand) | CHEMBL441687 (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 | CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[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 00000000 00810100 80280040 00000000 00002880 08000442 01202000 01108028 00000000 4000d000 14028028 02800000 00000400 282a9008 00800000 80000020 1341a000 00000001 00100020 00000a80 05008000 08000014 00200400 00000000 00404000 a4000020 00000200 00000000 24a20000 00000000 |