Molecule Details
| InChIKey | WKNCKKOHQQLNCY-PTFNDWLJSA-M |
|---|---|
| Compound Name | 3CLpro inhibitor 6e |
| Canonical SMILES | CCCCC1CCC(OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC2CCNC2=O)C(O)S(=O)(=O)[O-])CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.55 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| A0A1L2E0X0 | orf1a | Middle East respiratory syndrome-related coronavirus | Pathogen | PF16251 PF11501 PF11633 PF09401 PF19212 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 6.8 | IC50 | BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.8 | IC50 | BindingDB |
| P0C6U8 | Severe acute respiratory syndrome coronavirus | Pathogen | PF16251 PF11501 PF12379 PF12124 PF11633 PF09401 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF01661 PF05409 | 6.0 | IC50 | BindingDB |