On Target PA_INFA 0.27272728/CHEMBL2040554
For the given ligand DB00947, we have found in our database that, being scored 0.27272728, the most similar ligand is CHEMBL2040554. Check out the elaboration below.
| DB00947 (Given Ligand) | CHEMBL2040554 (Similar Ligand) |
|---|---|
| C[C@@]14CCC[C@@H]1[C@H]3[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc2cc(O)ccc2[C@H]3CC4 | O=C(O)/C(O)=C/C(=O)C1(Cc2ccc(Cl)cc2)CCN(CC2CCCCC2)CC1 |
|
|
|
|
|
|
| 00000000 47000008 20100102 00110200 00000000 40000082 02000000 00000001 05200800 00084840 08100000 40128000 00010002 00240000 80000020 00000008 04000200 02000000 02002000 00020201 40000100 08000001 00004300 00f40010 00000000 80020001 00120020 90000000 0000000a 03020022 00020000 01010620 | 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 |