On Target ACES_HUMAN 0.4032258/CHEMBL1783535
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.4032258, the most similar ligand is CHEMBL1783535. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL1783535 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CC(C)C1=N[C@H]2CC[C@]34C[C@@]35[C@@H](CC[C@H]4[C@]2(C)CC1)[C@]6(C)C[C@@H](O)[C@H]([C@H](C)N(C)C)[C@@]6(C)CC5=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 | 00010002 01000000 00300000 04000c00 00080000 00000000 10000000 00002000 00000000 20000081 00210100 40011000 04008038 01802000 00000000 00080008 00000800 00000000 02c02000 00020001 00000001 30010210 01000081 02100810 00000000 00020000 40000000 10001000 08000000 01040000 00020000 00000200 |