On Target ACE_HUMAN 0.4871795/CHEMBL311988
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.4871795, the most similar ligand is CHEMBL311988. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL311988 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CC(C1CCCCC(CS)C1=O)C(=O)O |
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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 | 00050000 01000000 00000000 00100000 00080000 00000000 00000000 00000000 00200000 00000000 00000000 40021000 04008008 00840000 00000000 00080008 00000000 00000000 00402000 00400001 00000000 00000a00 01000100 00000010 00000000 00000000 00000000 00001000 00000002 00000000 00020000 01010000 |