On Target CHLE_HUMAN 0.4566929/CHEMBL3586200
For the given ligand Aspirin, we have found in our database that, being scored 0.4566929, the most similar ligand is CHEMBL3586200. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL3586200 (Similar Ligand) |
|---|---|
| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | C[C@@]12CC[C@@H]3[C@](C)(CC[C@H](OC(=O)CCc4ccc(O)cc4)[C@]3(C)C(=O)O)[C@H]1CC[C@H]1C(=CC[C@H]3[C@@](C)(CO)[C@H](O)CC[C@]13C)C2 |
|
|
|
|
|
|
| 00010000 81040008 2200010a 10010200 40483000 00000801 02040140 18001400 00002840 00580840 48100000 40409200 9402800a 00a00000 03000401 0008000c 00000000 02000000 02402098 0a022001 00000100 08000200 05008000 08400012 00001800 80002400 00524000 80000000 00014202 80020002 24020840 00000410 | 00010040 01000008 20000100 00010300 000c0040 00200000 02000000 00000402 00000800 01180848 08100000 40009000 1402800a 00800000 00000400 00081008 00820000 02000020 03402008 00020001 00000120 08000a00 01008040 00400010 00200c00 80000000 0052c000 80001000 00000200 0002000a 24020000 00000400 |