On Target COMT_HUMAN 0.2262295/CHEMBL3819488
For the given ligand Codeine, we have found in our database that, being scored 0.2262295, the most similar ligand is CHEMBL3819488. Check out the elaboration below.
| Codeine (Given Ligand) | CHEMBL3819488 (Similar Ligand) |
|---|---|
| COc1ccc2C[C@@H]5[C@@H]3/C=C\[C@H](O)[C@@H]4Oc1c2[C@]34CCN5C | 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 |
|
|
|
|
|
|
| 04001000 cb000208 20100d0a 80310700 00181061 c2000002 020c1000 38000643 00000890 001818ca 08300300 51818040 00824002 21a00080 11240425 020ca018 08800200 22008060 04492010 0002a201 00000100 18200010 0500e040 89540410 00201000 c0002401 04524200 90800000 04000302 0007cc0a 24020000 00012f40 | 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 |