Molecule Details
| InChIKey | AQBCDIPFESZHSZ-KKYXJMJZSA-N |
|---|---|
| Compound Name | 2-(2-{2-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-methyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-3-carboxy-propionylamino)-4-methyl-pentanoic acid |
| Canonical SMILES | CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P23921 | RRM1 | Homo sapiens | Human | PF03477 PF02867 PF00317 | 6.1 | IC50 | ChEMBL;BindingDB |
| P31350 | RRM2 | Homo sapiens | Human | PF00268 | 6.1 | IC50 | ChEMBL |
| Q7LG56 | RRM2B | Homo sapiens | Human | PF00268 | 6.1 | IC50 | ChEMBL |
| P08543 | RIR1 | Human herpesvirus 1 (strain 17) | Pathogen | PF02867 PF00317 | 6.1 | IC50 | ChEMBL;BindingDB |