On Target COMT_HUMAN 0.09022556/CHEMBL953
For the given ligand test, we have found in our database that, being scored 0.09022556, the most similar ligand is CHEMBL953. Check out the elaboration below.
| test (Given Ligand) | CHEMBL953 (Similar Ligand) |
|---|---|
| CC(=O)N=c1ccc(=O)cc1 | CCN(CC)C(=O)\C(=C\c1cc(O)c(O)c(c1)[N+](=O)[O-])\C#N |
|
|
|
|
|
|
| 00000000 00000000 00200000 00080400 00000000 00000000 10000000 12000402 01000020 00100003 00000000 40000001 00008000 00000000 00000000 00000080 00000800 00000000 00110000 00008040 00000001 20001680 00008000 00000810 00000000 00000000 40401000 00400800 00000010 00040000 06000000 00020000 | 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 |