On Target IKKB_HUMAN 0.3432836/CHEMBL1762621
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.3432836, the most similar ligand is CHEMBL1762621. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL1762621 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]3C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(=C[C@]45C)C#N)[C@]3(C)CC2 |
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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 | 00010002 01000000 00000000 00090520 00080000 00080000 00000080 00000402 01000000 00128000 00000000 40009000 04028028 00800000 00000401 00080008 00c20000 00000020 02412000 00020001 00000001 10000a80 01008400 00000810 00200002 00000000 00404000 80000000 00080200 00040000 24020000 00000080 |