Molecule Details
| InChIKey | WSFQQGCWUCOARG-NMLBUPMWSA-N |
|---|---|
| Compound Name | (2R)-2-[(3S,4R)-1-acetyl-4-sulfanylpyrrolidin-3-yl]sulfanyl-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide |
| Canonical SMILES | CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)S[C@H]1CN(C(C)=O)C[C@H]1S |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.39 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.2 | Ki | ChEMBL |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 8.2 | Ki | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.8 | Ki | ChEMBL |
| P09237 | MMP7 | Homo sapiens | Human | PF00413 PF01471 | 7.0 | Ki | ChEMBL;BindingDB |
| P03956 | MMP1 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 7.0 | Ki | ChEMBL |
| P08254 | MMP3 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 6.0 | Ki | ChEMBL |