On Target PGH2_HUMAN 0.33898306/CHEMBL504631
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.33898306, the most similar ligand is CHEMBL504631. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL504631 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]4[C@H](CC[C@@]34C)[C@@](C)(O)CCC=C(C)C)C1(C)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 | 00010040 81000000 00000100 00010300 00080040 00000000 00000000 00000400 00000000 01100000 00000000 40009000 04028008 02800000 00000400 00081008 00820000 00000000 03402000 00002001 00000020 00000a00 01008000 00000010 00000400 00000000 00404000 80000000 00000200 0100000a 24020000 00000000 |