On Target NK1R_HUMAN 0.28089887/CHEMBL283872
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.28089887, the most similar ligand is CHEMBL283872. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL283872 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | NC(=O)C[C@H]1CCC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c3ccccc3 |
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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 010c0000 00100102 00010700 00080051 00004000 00000400 00000040 00100900 000808d0 08100000 40019002 04008028 01a10000 00040000 02081008 08800000 02000000 06402000 40000001 00010120 18000630 01000000 00400010 00000400 80002000 00080000 90000000 00000202 00060002 40120004 02400600 |