On Target PTGES_HUMAN 0.45454547/CHEMBL566929
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.45454547, the most similar ligand is CHEMBL566929. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL566929 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CC(=CCC[C@@H]([C@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@H]4CC3)C(=O)O)C |
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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 00000000 00000000 00080000 00000000 00000000 00000402 00000000 00108008 00000000 40001000 04028008 00800000 00000400 00080008 00000000 00000020 02402000 00000001 00000000 00000a00 01008000 00000010 00200000 00000000 00404000 80000000 00000000 01000000 24020000 00000000 |