Molecule Details
| InChIKey | AYCBRUDZNRVKGK-JADQXSCDSA-N |
|---|---|
| Compound Name | H-D-Ser-Ser-D-Cys(1)-D-Phe-Gly-Gly-Arg-D-aIle-Asp-D-Arg-Ile-Gly-Ala-D-Gln-Ser-Gly-Leu-Gly-D-Cys(1)-Asn-Ser-Phe-Arg-Tyr-OH |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](N)CO)CSSC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.54 |
| Source | ChEMBL |
2D Structure
Activity Profile