Molecule Details
| InChIKey | WYMQUJDMERVVKY-UPVQGACJSA-N |
|---|---|
| Compound Name | N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-4-phenyl-1-(5-sulfamoyl-1,3-benzoxazol-2-yl)butan-2-yl]amino]pentan-2-yl]piperidine-4-carboxamide |
| Canonical SMILES | CC(C)C[C@H](NC(=O)C1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2cc(S(N)(=O)=O)ccc2o1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.13 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25774 | CTSS | Homo sapiens | Human | PF08246 PF00112 | 7.4 | Ki | ChEMBL;BindingDB |
| P43235 | CTSK | Homo sapiens | Human | PF08246 PF00112 | 7.4 | Ki | ChEMBL;BindingDB |
| P07858 | CTSB | Homo sapiens | Human | PF00112 PF08127 | 7.0 | Ki | ChEMBL;BindingDB |
| P07711 | CTSL | Homo sapiens | Human | PF08246 PF00112 | 6.7 | Ki | ChEMBL;BindingDB |