On Target COMT_HUMAN 0.0631068/CHEMBL3819488
For the given ligand Polygodial, we have found in our database that, being scored 0.0631068, the most similar ligand is CHEMBL3819488. Check out the elaboration below.
| Polygodial (Given Ligand) | CHEMBL3819488 (Similar Ligand) |
|---|---|
| CC(=O)C2CCC1C(CCC[C@]1(C)C)C2C(C)=O | CN(Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)[O-])C(=O)CCCCCNC(=O)C[C@H](NC(=O)c3ccc(cc3)N=[N+]=[N-])C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45 |
|
|
|
|
|
|
| 00010000 01000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 00000000 40001000 04008008 00000000 00000000 00000000 00000000 00000000 02002000 00000001 00000000 00000200 00000000 00000010 00000000 00000000 00000000 00000000 00000002 00000000 00020000 00000000 | 08038002 c7803c18 20101101 c4110e40 00004000 00000000 02002004 23003048 14602300 020949e0 0c200004 4007b800 8e019a0e 000c2100 20100541 300ac018 04209000 02802001 00802070 00020701 c4020120 381f8610 25000393 0a72141c 00851403 e0000000 80124000 d000a020 88500382 00060033 a00e4000 27812600 |