Molecule Details
| InChIKey | LPQLYZKOKVZVSN-OSAZCDQKSA-N |
|---|---|
| Compound Name | (3S)-5-(benzylsulfanyl)-3-[(2S)-2-[2-hydroxy-2-(5-iodo-2-methoxyphenyl)acetamido]-3-methylbutanamido]-4-oxopentanoic acid |
| Canonical SMILES | COc1ccc(I)cc1C(O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.96 |
| Source | BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P42574 | CASP3 | Homo sapiens | Human | PF00656 | 7.8 | IC50 | BindingDB |
| Q14790 | CASP8 | Homo sapiens | Human | PF01335 PF00656 | 7.0 | IC50 | BindingDB |
| P55210 | CASP7 | Homo sapiens | Human | PF00656 | 6.9 | IC50 | BindingDB |
| P29466 | CASP1 | Homo sapiens | Human | PF00619 PF00656 | 6.2 | IC50 | BindingDB |