Molecule Details
| InChIKey | YQEMFOGNUTYMTJ-JNBVYXHXSA-N |
|---|---|
| Compound Name | 1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(1H-indol-3-YL)-ethylcarbamoyl]-5-phenyl-pentyl}-phosphinic acid |
| Canonical SMILES | NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.92 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04318 |
|---|---|
| Drug Name | Nα-[(2S)-2-{[(S)-[(1S)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]methyl}-5-phenylpentanoyl]-L-tryptophanamide |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: ChemSpider: 393578 PDB: RXP PubChem:446143 PubChem:46504852 ZINC: ZINC000026576087
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22894 | MMP8 | Homo sapiens | Human | PF00045 PF00413 PF01471 | 8.6 | IC50 | BindingDB |
| P24347 | MMP11 | Homo sapiens | Human | PF00045 PF00413 | 8.3 | Ki | BindingDB |
| P14780 | MMP9 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 8.0 | Ki | BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | 7.7 | Ki | BindingDB |
| P50281 | MMP14 | Homo sapiens | Human | PF11857 PF00045 PF00413 PF01471 | 7.0 | Ki | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P24347 | MMP11 | Stromelysin-3 | binder | targets |