On Target PA_INFA 0.33/CHEMBL2040554
For the given ligand DB04825, we have found in our database that, being scored 0.33, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB04825 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
|---|---|
| C[C@@H](Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
|
|
|
|
|
|
| 00000000 00000200 00100100 00010600 00000000 00000000 00000000 21000000 00000880 000808c0 08300000 40008000 00000002 00000000 00000000 00040000 00000000 02000000 00000000 00000201 00000100 18200000 00000000 81400010 00000000 a0000000 00000000 50000000 04000080 0006000a 00000000 00002600 | 00028000 01000000 00100102 00010600 00000000 00000000 00000080 28000400 01100800 001808c0 08300000 5001d800 86028026 00200000 00000400 00080008 00000000 02000000 02252018 00000201 00000100 18000b90 04008000 00500010 00003800 80002400 00444000 90000000 00004000 00060002 04020000 00822600 |