On Target CASP1_HUMAN 0.35135135/CHEMBL466565
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.35135135, the most similar ligand is CHEMBL466565. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL466565 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CC(C)C[C@H]1C[C@H]([C@@H](O)CC(=O)Cc2ccccc2)C(=O)N1 |
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| 00030000 01000000 00000000 00000400 00180000 00000000 00000000 00000000 00000000 00000080 00000000 40011000 04008008 00800000 00000000 00080008 00000000 00000000 02402000 00000001 00000000 10000a10 01000000 00000010 00000000 00000000 00000000 00000000 00000000 00040000 00020000 00000000 | 00030000 01001000 00100102 00010600 00180000 00000010 00000000 20000000 00000800 000a08c0 08300000 40019000 1500801a 00a00000 40000000 00080008 00000000 02000000 00c02000 00000201 00000100 18040610 01000080 00500018 00000001 80000000 00000000 10000000 00000002 00060003 00022000 00002e00 |