On Target COMT_HUMAN 0.11016949/CHEMBL3425731
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.11016949, the most similar ligand is CHEMBL3425731. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL3425731 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CCCCc1ccc(cc1)N2C=C(O)C(=O)C=C2CO |
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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 | 00000002 01000a08 60004102 50010600 00040028 00004004 04800000 00201000 02100b00 800808c0 08100004 40018000 80008804 00600200 00020040 020c000c 00008000 02804004 00200000 00060001 40000100 18008030 20800002 81500014 02002400 c0000040 00420060 00040000 04000004 0806000a c0040000 40200400 |