O00748 | EST2_HUMAN | Cocaine esterase (CES2)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00135 | COesterase - Carboxylesterase family | 31~538 |
3D structures mapped by conservation among orthologs
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL4854298 |  |
IC50 | = | 4.04 | nM | 333.22 | CCOC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4853742 |  |
IC50 | = | 4.33 | nM | 288.23 | CCOC(=O)/C(=N\Nc1ccccc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL270373 |  |
IC50 | = | 7.4 | nM | 272.33 | CCCCCCCC[S+]([O-])CC(=O)C(F)(F)F | Homo sapiens | CHEMBL930033 | single protein format |
| CHEMBL89506 |  |
IC50 | = | 8.5 | nM | 256.33 | CCCCCCCCSCC(=O)C(F)(F)F | Homo sapiens | CHEMBL930032 | single protein format |
| CHEMBL4858186 |  |
IC50 | = | 9.84 | nM | 306.21 | CCOC(=O)/C(=N\Nc1ccc(F)cc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4868014 |  |
IC50 | = | 10.81 | nM | 367.12 | CCOC(=O)/C(=N\Nc1ccc(Br)cc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4855838 |  |
IC50 | = | 16.92 | nM | 319.19 | COC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL86668 |  |
IC50 | = | 20.0 | nM | 238.29 | CCCCCCCCCCC(=O)C(F)(F)F | Homo sapiens | CHEMBL930033 | single protein format |
| CHEMBL3774603 |  |
IC50 | = | 20.0 | nM | 584.84 | CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 | Homo sapiens | CHEMBL3777369 | tissue-based format |
| CHEMBL273139 |  |
IC50 | = | 21.0 | nM | 288.33 | CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F | Homo sapiens | CHEMBL930033 | single protein format |
| CHEMBL4853637 |  |
IC50 | = | 23.44 | nM | 302.25 | CCOC(=O)/C(=N\Nc1cccc(C)c1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL189886 |  |
IC50 | = | 38.0 | nM | 210.23 | O=C(C(=O)c1ccccc1)c1ccccc1 | Homo sapiens | CHEMBL930042 | single protein format |
| CHEMBL4849436 |  |
IC50 | = | 47.74 | nM | 274.2 | COC(=O)/C(=N\Nc1ccccc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4776624 |  |
IC50 | = | 52.0 | nM | 335.4 | COc1cc(/C=C2\Cc3ccc(N4CCCC4)cc3C2=O)ccc1O | Homo sapiens | CHEMBL4711500 | microsome format |
| CHEMBL4855755 |  |
IC50 | = | 70.51 | nM | 318.25 | CCOC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4849361 |  |
IC50 | = | 72.31 | nM | 302.25 | CCOC(=O)/C(=N\Nc1ccc(C)cc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4851375 |  |
IC50 | = | 130.0 | nM | 360.5 | Cc1ccc(CC2C(=O)N(C3CCCCC3)N=C2c2ccc(C)cc2)cc1 | Homo sapiens | CHEMBL4822790 | microsome format |
| CHEMBL4868687 |  |
IC50 | = | 193.34 | nM | 288.23 | COC(=O)/C(=N\Nc1ccc(C)cc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4849604 |  |
IC50 | = | 230.09 | nM | 404.24 | COC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)C(F)(F)C(F)(F)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |
| CHEMBL4872772 |  |
IC50 | = | 339.25 | nM | 304.22 | COC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)C(F)(F)F | Homo sapiens | CHEMBL4821415 | cell-based format |