Porphobilinogen deaminase
Target ID: CHEMBL3988601
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| AMPHOTERICIN B | C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O | MIC: 4000.0 ug.mL-1 |  |
| MILCICLIB | CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2 | IC50: 10000.0 nM |  |
| DANUSERTIB | CO[C@@H](C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(N4CCN(C)CC4)cc3)c2C1)c1ccccc1 | IC50: 13.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [1*]C([6*])=O | 6.44 | 78 |  |
| [5*]N1CCN(C)CC1 | 6.44 | 78 |  |
| [5*]N[5*] | 6.44 | 78 |  |
| [16*]c1ccc([16*])cc1 | 6.44 | 78 |  |
| c1cc(N2CCNCC2)ccc1Nc1ncc2c(n1)-c1[nH]ncc1CC2 | 5.0 | 39 |  |