ATPase family AAA domain-containing protein 5
Target ID: CHEMBL1741209
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| METHOTREXATE | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | ID50: 6.2 nM |  |
| GENISTEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12 | IC50: 1000.0 nM |  |
| MIFEPRISTONE | CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C | IC50: 0.028 nM |  |
| EMETINE | CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21 | IC50: 40.0 nM |  |
| DAIDZEIN | O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12 | Suppression: 22.0 % |  |
| NAFTOPIDIL | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 | Ki: 39.0 nM |  |
| AMINOPTERIN | Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 | Ki: 0.0037 nM |  |
| CILOSTAMIDE | CN(C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1)C1CCCCC1 | EC50: 1200.0 nM |  |
| MIBEFRADIL | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C | Inhibition: 86.0 % |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N([5*])C | 7.06 | 117 |  |
| [3*]O[3*] | 6.66 | 117 |  |
| [16*]c1ccc([16*])cc1 | 10.03 | 109 |  |
| [3*]OC | 7.41 | 94 |  |
| c1ccc(NCc2cnc3ncncc3n2)cc1 | 9.82 | 78 |  |