Molecule Details
| InChIKey | WYHYHVQLIDRPFA-TUSHHCFTSA-N |
|---|---|
| Compound Name | H2NCO-D-Tyr-D-Cys(1)-D-Phe-Phe(NHMe)(NHMe)-Trp-Lys-D-aThr-Phe-Cys(1)-OH |
| Canonical SMILES | CNc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](Cc3ccc(O)cc3)NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.81 |
| Source | BindingDB |
2D Structure
Activity Profile