On Target OPRX_HUMAN 0.3125/CHEMBL3325747
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.3125, the most similar ligand is CHEMBL3325747. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL3325747 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | Cl.CN(C)[C@@]1(CC[C@@](O)(CCc2ccccc2)CC1)c3ccccc3 |
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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 | 00000000 01000000 00100102 00010600 00180000 00000000 00000000 02001000 00000800 000808c0 08300000 40018000 00000800 00a00000 00000000 00080008 00000000 02000000 02402000 00000001 00000100 18008010 01000040 00500010 00000000 80000000 00000000 90000000 00000102 00060002 00060000 00020e00 |