P21964 | COMT_HUMAN | Catechol O-methyltransferase (COMT)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF01596 | Methyltransf_3 - O-methyltransferase | 77~225 |
3D structures mapped by conservation among orthologs
[ Domain: "S-adenosyl-L-methionine-dependent methyltransferases" // Methyltransf_11_4 ]
[ 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL4462175 |  |
IC50 | = | 6.3 | nM | 284.36 | Cc1cccc(C)c1CN1CCn2cc(O)c(=O)cc2C1 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4461693 |  |
IC50 | = | 10.0 | nM | 325.19 | O=c1cc2n(cc1O)CCN(Cc1ccc(Cl)cc1Cl)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4470211 |  |
IC50 | = | 10.0 | nM | 325.19 | O=c1cc2n(cc1O)CCN(Cc1c(Cl)cccc1Cl)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4458006 |  |
IC50 | = | 13.0 | nM | 284.36 | Cc1ccc(CN2CCn3cc(O)c(=O)cc3C2)c(C)c1 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4531460 |  |
IC50 | = | 16.0 | nM | 308.74 | O=c1cc2n(cc1O)CCN(Cc1c(F)cccc1Cl)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4563060 |  |
IC50 | = | 24.0 | nM | 328.24 | N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)c1cnc(C(=O)O)cn1 | Homo sapiens | CHEMBL4418740 | single protein format |
| CHEMBL4464343 |  |
IC50 | = | 33.0 | nM | 289.25 | N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)N1CCC1 | Homo sapiens | CHEMBL4418740 | single protein format |
| CHEMBL3798524 |  |
IC50 | = | 35.0 | nM | 333.17 | O=c1ccn(-c2cc(-c3ccc(Cl)c(Cl)c3)ccn2)cc1O | Homo sapiens | CHEMBL3801492 | assay format |
| CHEMBL4449462 |  |
IC50 | = | 38.0 | nM | 292.29 | O=c1cc2n(cc1O)CCN(Cc1c(F)cccc1F)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4453736 |  |
IC50 | = | 40.0 | nM | 290.75 | O=c1cc2n(cc1O)CCN(Cc1ccccc1Cl)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4583818 |  |
IC50 | = | 40.0 | nM | 284.36 | Cc1cccc(CN2CCn3cc(O)c(=O)cc3C2)c1C | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL3799913 |  |
IC50 | = | 40.0 | nM | 264.28 | O=c1ccn(-c2cc(-c3ccccc3)ccn2)cc1O | Homo sapiens | CHEMBL3801492 | assay format |
| CHEMBL4447751 |  |
IC50 | = | 40.0 | nM | 308.74 | O=c1cc2n(cc1O)CCN(Cc1ccc(F)cc1Cl)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL3425734 |  |
IC50 | = | 47.0 | nM | 263.3 | O=c1ccn(-c2cccc(-c3ccccc3)c2)cc1O | Homo sapiens | CHEMBL3429503 | cell-based format |
| CHEMBL3799623 |  |
IC50 | = | 49.5 | nM | 344.37 | O=c1ccn(-c2cc(-c3cnn(Cc4ccccc4)c3)ccn2)cc1O | Homo sapiens | CHEMBL3801492 | assay format |
| CHEMBL4523002 |  |
IC50 | = | 50.0 | nM | 274.3 | O=c1cc2n(cc1O)CCN(Cc1ccccc1F)C2 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL4476127 |  |
IC50 | = | 50.0 | nM | 270.33 | Cc1ccccc1CN1CCn2cc(O)c(=O)cc2C1 | Homo sapiens | CHEMBL4411225 | cell-based format |
| CHEMBL3425735 |  |
IC50 | = | 53.0 | nM | 277.32 | Cc1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 | Homo sapiens | CHEMBL3429503 | cell-based format |
| CHEMBL3818719 |  |
IC50 | = | 54.0 | nM | 403.44 | CCN(CC)C(=O)c1cc2cc(O)c(O)c([N+](=O)[O-])c2cc1C(=O)N(CC)CC | Homo sapiens | CHEMBL3821389 | assay format |
| CHEMBL3425740 |  |
IC50 | = | 57.0 | nM | 335.4 | CCCC(O)c1cc(=O)c(O)cn1-c1cccc(-c2ccccc2)c1 | Homo sapiens | CHEMBL3429503 | cell-based format |