Molecule Details
| InChIKey | DQAHFXNORWIJPU-NKQBFHEZSA-N |
|---|---|
| Compound Name | (2S)-2-amino-N-[(7S,13S,18S,24S)-18-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-7,24-dibenzyl-6,9,12,19,22,25-hexaoxo-1,2,15,16-tetrathia-5,8,11,20,23,26-hexazacyclooctacos-13-yl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide |
| Canonical SMILES | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.32 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile