Molecule Details
| InChIKey | STEAMACHIRWBBH-RXFVQNAMSA-N |
|---|---|
| Compound Name | (3S)-3-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanehydrazido]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-[(2S)-2-[(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-2-yl)propanamido]hexanamido]propanoic acid |
| Canonical SMILES | CCCC[C@H](NC(=O)[C@@H](Cc1cc2ccccc2[nH]1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.8 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile