On Target COMT_HUMAN 0.26377952/CHEMBL3819488
For the given ligand STX, we have found in our database that, being scored 0.26377952, the most similar ligand is CHEMBL3819488. Check out the elaboration below.
| STX (Given Ligand) | CHEMBL3819488 (Similar Ligand) |
|---|---|
| N=C3NC1C(COC(N)=O)NC(=N)N2CCC(O)(O)C12N3 | CN(Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1)C(=O)CCCCCNC(=O)C[C@H](NC(=O)c1ccc(N=[N+]=[N-])cc1)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
|
|
|
|
|
|
| 00000010 01400400 00100302 04210f00 00180080 00000010 00040005 a0002000 00200600 000201e2 06200002 40038000 0100b202 02802300 00001000 00380008 30a70010 00002000 00c02040 00000201 00000100 30032c30 13000081 02100010 00010003 00080002 40000200 30000000 08000210 00040017 801a0001 00002a00 | 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 |