Molecule Details
| InChIKey | YABWOCJHKKFQIN-PQFXGCPVSA-N |
|---|---|
| Compound Name | (4aR,6S,7R,7aS)-7-[2-((S)-2-Amino-4-methyl-pentanoylsulfamoyl)-acetylamino]-4-carbamoyl-6-hydroxy-2-methyl-2,4a,5,6,7,7a-hexahydro-1H-[2]pyrindine-7-carboxylic acid |
| Canonical SMILES | CC(C)C[C@H](N)C(=O)NS(=O)(=O)CC(=O)N[C@]1(C(=O)O)[C@@H]2CN(C)C=C(C(N)=O)[C@@H]2C[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.79 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9P2J5 | LARS1 | Homo sapiens | Human | PF08264 PF24810 PF00133 PF22947 | 7.8 | IC50 | ChEMBL;BindingDB |
| P26640 | VARS1 | Homo sapiens | Human | PF08264 PF00043 PF00133 | 6.5 | IC50 | BindingDB |
| P41972 | ileS | Staphylococcus aureus | Pathogen | PF08264 PF00133 PF06827 | 6.0 | IC50 | ChEMBL;BindingDB |