On Target JAK1_HUMAN 0.30769232/CHEMBL5421894
For the given ligand Betulinic acid, we have found in our database that, being scored 0.30769232, the most similar ligand is CHEMBL5421894. Check out the elaboration below.
| Betulinic acid (Given Ligand) | CHEMBL5421894 (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(=C\C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OS(=O)(=O)[O-])[C@H]4C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)C(C)C.[Na+].[Na+].[Na+] |
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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 | 00000000 09000000 00000000 00400000 00280000 00000000 80020000 00000c02 00000000 00100020 00002000 40000000 00020000 02800002 00000402 00080008 00000800 00000000 02c02000 00000001 00000000 20000000 050080a0 02000010 05200005 00000001 40404000 80000000 28008000 01000000 24020000 00010820 |