On Target MDR1_HUMAN 0.42/CHEMBL9352
For the given ligand Aspirin, we have found in our database that, being scored 0.42, the most similar ligand is CHEMBL9352. Check out the elaboration below.
| Aspirin (Given Ligand) | CHEMBL9352 (Similar Ligand) |
|---|---|
| CC(=O)Oc1ccccc1C(=O)O | Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2 |
|
|
|
|
|
|
| 04000000 00000808 20000108 00010200 00001000 00024000 02000000 00000800 00000100 00000840 00000000 40008020 02808002 00000000 01010001 0008200c 00020000 02008000 00000000 00420000 00000000 08020a20 10000000 00400004 00000000 80000000 00000800 00000001 00000300 00020000 c0004000 10000000 | 04000001 01000818 2000010b 00010300 00001000 82224000 42000000 00000200 00000900 00080840 08100000 40009060 14808002 00210000 11000001 020a2008 00000000 02008000 00400008 00020801 00000100 08020220 01000060 00c01014 00004800 c0002000 00520800 00000000 00010300 00034002 c0000000 00000400 |