On Target COMT_HUMAN 0.2112676/CHEMBL953
For the given ligand Amitriptyline, we have found in our database that, being scored 0.2112676, the most similar ligand is CHEMBL953. Check out the elaboration below.
| Amitriptyline (Given Ligand) | CHEMBL953 (Similar Ligand) |
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| CN(C)CC/C=C/2c1ccccc1CCc3ccccc23 | CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)[N+](=O)[O-])\C#N |
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| 00080000 08000000 00100300 00010600 22000000 00002002 80080480 01000401 04000800 00180840 08300000 40008000 00000000 00200000 00000002 00000002 00000400 02000040 00100000 00000001 00100100 18100000 0040c000 00400810 01000000 a0000001 00402000 40000000 02400080 00060c02 04000000 00000700 | 00000006 c0008018 20100100 00010620 00000004 00080000 82102080 00000400 15800000 00400860 04200004 40129000 00018202 00010000 20100142 0000c018 20400400 02000100 00018000 00820602 40020000 18000600 60000401 00401418 00040000 c0000000 004a2100 4001a000 00480000 000e0101 04000000 0c008280 |