Molecule Details
| InChIKey | PREQDDPQCXZODC-TZHKBYJCSA-N |
|---|---|
| Compound Name | H-Gly-D-Cys(1)-Pen(2)-Thr-Asp-Pro-Arg-Cys(1)-Arg-Tyr(3-I)-Orn-Cys(2)-bAla(3S-Bn(4-OH))-Arg-OH |
| Canonical SMILES | C[C@@H](O)[C@@H]1NC(=O)[C@H]2NC(=O)[C@H](NC(=O)CN)CSSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC1=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)Cc1ccc(O)cc1)CSSC2(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.18 |
| Source | ChEMBL |
2D Structure
Activity Profile