Molecule Details
| InChIKey | KMLOBHZAEFITDB-OALUTQOASA-N |
|---|---|
| Compound Name | (3S,5S)-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](C(=O)NO)C(C)(C)SCC[C@H]2c2ccccc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.6 | IC50 | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 7.3 | IC50 | ChEMBL;BindingDB |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.9 | IC50 | ChEMBL |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.6 | IC50 | ChEMBL |