On Target PTGES_HUMAN 0.4755245/CHEMBL445599
For the given ligand Aspirin, we have found in our database that, being scored 0.4755245, the most similar ligand is CHEMBL445599. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL445599 (Similar Ligand) |
|---|---|
| CO/C3=C/C2CC(c1ccc(OC)cc1)CC(=O)C2/C(O)=C3/OC | C=C(C)[C@H](CC=C(C)C)C[C@]12C[C@H](CC=C(C)C)C(C)(C)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(O)c3)=C1O)C2=O |
|
|
|
|
|
|
| 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 | 00010000 43000c08 20800103 00210200 00090000 40800000 020000c1 00000402 01000940 009a8848 08100000 40409000 9402802a 00a00000 00000400 20088008 00000400 02100020 02652008 0a020a01 00000100 18020280 01008000 00400014 00200800 80000000 00524200 80000000 00004002 80020002 a4020000 00000400 |