On Target OPRK_HUMAN 0.4871795/CHEMBL3890935
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.4871795, the most similar ligand is CHEMBL3890935. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL3890935 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CC[C@@H]1[C@H]2CCC[C@@H]3[C@@H]2[C@@H](CCN3CC4CCCCC4)CC1=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 | 00010000 01000000 00100000 00000400 00000000 00000000 00000000 20000000 00000000 00000080 00200000 50011000 0400801a 00000000 00000000 00000000 00000000 00000000 02002000 00000201 00000000 10000210 00000000 00100010 00000000 00000000 00000000 10000000 00000000 00040000 00020000 00002200 |