On Target IKKA_HUMAN 0.40625/CHEMBL384467
For the given ligand Betulinic acid, we have found in our database that, being scored 0.40625, the most similar ligand is CHEMBL384467. Check out the elaboration below.
| Betulinic acid (Given Ligand) | CHEMBL384467 (Similar Ligand) |
|---|---|
| C=C(C)[C@@H]4CC[C@]5(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]2[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC[C@]23C)[C@@H]45 | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO |
|
|
|
|
|
|
| 00010000 01000000 00000000 00000000 00080000 00000000 00000000 00000400 00000000 00108008 00000000 40001000 04008008 00800000 00000400 00080008 00000000 00000000 02402000 00000001 00000000 00000a00 01000000 00000010 00000000 00000000 00000000 80000000 00000000 01000000 24020000 00000000 | 00010002 81400000 00100000 00081000 00281400 00000000 00000080 02000402 01000000 00100000 00000000 40005000 04028028 00800000 00000400 00080008 00000000 00000000 03412000 00022001 00000001 00000280 01008000 00520810 00200000 00000002 00404020 90000000 00000000 03000000 24020000 00000200 |