Molecule Details
| InChIKey | BTCYLUBBXQARQV-IRXDYDNUSA-N |
|---|---|
| Compound Name | (3S,4S)-3-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidine-1-carboxamide |
| Canonical SMILES | CN([C@H]1CN(C(N)=O)C[C@@H]1S)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.38 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.9 | IC50 | ChEMBL |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.6 | IC50 | ChEMBL |
| P45452 | MMP13 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.5 | Ki | ChEMBL |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 7.2 | Ki | ChEMBL;BindingDB |
| P39900 | MMP12 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.8 | Ki | ChEMBL |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.5 | Ki | ChEMBL |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.1 | Ki | ChEMBL |