On Target AA1R_HUMAN 0.23333333/CHEMBL3955407
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.23333333, the most similar ligand is CHEMBL3955407. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL3955407 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | Nc1nc(Cl)nc2c1ncn2[C@@]34C[C@H](O)[C@H](O)[C@@H]3C4 |
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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 | 0000800a 05801800 00080000 08080620 00180060 0000c000 00008000 00000800 00400100 00800080 0000800c 40011000 03001008 03800000 c0080480 100c000c 00000000 00000000 0ac02000 80202001 80000000 10000150 25800040 00000014 00000000 00000200 00000000 00000000 00000008 01460000 c0082000 000200c0 |