Molecule Details
| InChIKey | LKRNBJJKOMCVND-URTNQIHRSA-N |
|---|---|
| Compound Name | benzyl N-[1-[[(2S)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-21-hydroxy-4-methyl-2-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8,11,15-tri(propan-2-yl)-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate |
| Canonical SMILES | CC(C)C[C@H]1C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@H](C(C)C)[C@H](NC(=O)[C@H](C)NC(=O)C(C)NC(=O)OCc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2CC[C@@H](O)N1C2=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | BindingDB |
2D Structure
Activity Profile