Molecule Details
| InChIKey | KMLOBHZAEFITDB-MOPGFXCFSA-N |
|---|---|
| Compound Name | (3S,5R)-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-2,2-dimethyl-5-phenyl-1,4-thiazepane-3-carboxamide |
| Canonical SMILES | COc1ccc(S(=O)(=O)N2[C@@H](c3ccccc3)CCSC(C)(C)[C@@H]2C(=O)NO)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.4 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.6 | IC50 | ChEMBL |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | IC50 | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 7.0 | IC50 | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.6 | IC50 | ChEMBL |