P06870 | KLK1_HUMAN | Kallikrein-1 (KLK1)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00089 | Trypsin - Trypsin | 25~254 |
3D structures mapped by conservation among orthologs
[ Domain: "FMN-binding split barrel 2" // Trypsin_1 ]
[ 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL5276515 |  |
IC50 | = | 2.9 | nM | 477.95 | Nc1nn(Cc2ccc(Cn3ccccc3=O)cc2)cc1C(=O)NCCOc1cccc(Cl)c1 | Homo sapiens | CHEMBL5234006 | single protein format |
| CHEMBL3769636 |  |
IC50 | = | 86.0 | nM | 489.46 | O=C(NC(c1ccc(O)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1 | Homo sapiens | CHEMBL3772518 | assay format |
| CHEMBL85154 |  |
IC50 | = | 96.5 | nM | 517.56 | C=CCN(CC(=O)O)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1.CS(=O)(=O)O | Homo sapiens | CHEMBL701593 | single protein format |
| CHEMBL3949564 |  |
IC50 | = | 160.0 | nM | 474.61 | CCOc1ccc(C[C@@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CN)cc2)cc1 | Homo sapiens | CHEMBL3887813 | single protein format |
| CHEMBL85136 |  |
IC50 | = | 190.0 | nM | 545.61 | C=CCN(CC(=O)OCC)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1.CS(=O)(=O)O | Homo sapiens | CHEMBL701593 | single protein format |
| CHEMBL1184949 |  |
IC50 | = | 240.0 | nM | 530.52 | N=C(N)Nc1ccc(C(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 | Homo sapiens | CHEMBL3772518 | assay format |
| CHEMBL297835 |  |
IC50 | = | 250.0 | nM | 486.55 | N=C(N)c1cccc(Oc2ccccc2NC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 | Homo sapiens | CHEMBL701763 | single protein format |
| CHEMBL273264 |  |
IC50 | = | 650.0 | nM | 347.38 | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | Homo sapiens | CHEMBL703574 | single protein format |
| CHEMBL239331 |  |
IC50 | = | 820.0 | nM | 496.5 | N=C(N)NCCCC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 | Homo sapiens | CHEMBL3772518 | assay format |
| CHEMBL3809352 |  |
Ki | = | 4.0 | nM | 481.56 | C[C@@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2 | Homo sapiens | CHEMBL3811623 | single protein format |
| CHEMBL3808853 |  |
Ki | = | 6.0 | nM | 481.56 | CC1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2 | Homo sapiens | CHEMBL3811623 | single protein format |
| CHEMBL3934882 |  |
Ki | = | 15.0 | nM | 567.67 | Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3CC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1 | Homo sapiens | CHEMBL3855499 | single protein format |
| CHEMBL3594305 |  |
Ki | = | 18.0 | nM | 465.56 | Nc1nccc2cc(N[C@H]3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12 | Homo sapiens | CHEMBL3595074 | single protein format |
| CHEMBL321319 |  |
Ki | = | 19.0 | nM | 447.52 | CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3ccccc3)cc3ccc(C(=N)N)cc23)co1 | Homo sapiens | CHEMBL751611 | single protein format |
| CHEMBL3907376 |  |
Ki | = | 21.0 | nM | 509.61 | Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cccc(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 | Homo sapiens | CHEMBL3854659 | single protein format |
| CHEMBL3594312 |  |
Ki | = | 22.0 | nM | 585.73 | CC(C)(C)S(=O)(=O)c1ccc2cc1CNC(=O)C(Nc1ccc3c(N)nccc3c1)c1ccc(cc1)CCCC(=O)N2 | Homo sapiens | CHEMBL3595074 | single protein format |
| CHEMBL3808399 |  |
Ki | = | 25.0 | nM | 481.56 | C[C@H]1COC(=O)Nc2cccc(c2)CNC(=O)C(Nc2ccc3c(N)nccc3c2)c2ccc1cc2 | Homo sapiens | CHEMBL3811623 | single protein format |
| CHEMBL3809909 |  |
Ki | = | 25.0 | nM | 495.58 | CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2 | Homo sapiens | CHEMBL3811623 | single protein format |
| CHEMBL3809344 |  |
Ki | = | 31.0 | nM | 495.58 | CC1(C)COC(=O)Nc2cccc(c2)CNC(=O)[C@@H](Nc2ccc3c(N)nccc3c2)c2ccc1cc2 | Homo sapiens | CHEMBL3811623 | single protein format |
| CHEMBL3935309 |  |
Ki | = | 34.0 | nM | 593.61 | Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(OC(F)(F)F)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1 | Homo sapiens | CHEMBL3854659 | single protein format |