Molecule Details
| InChIKey | ZBVDAILDYSBUAI-IPGQWSIKSA-N |
|---|---|
| Compound Name | cyclo[Ala-Tyr-Ser-Bip-Pro-Pro-Ile-Cys(1)-Phe-Pro-Asp-Gly-Phe-Cys(1)] |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17538 | CTRB1 | Homo sapiens | Human | PF00089 | 8.8 | Ki | ChEMBL |
| P40313 | CTRL | Homo sapiens | Human | PF00089 | 8.8 | Ki | ChEMBL |
| Q6GPI1 | CTRB2 | Homo sapiens | Human | PF00089 | 8.8 | Ki | ChEMBL;BindingDB |
| Q99895 | CTRC | Homo sapiens | Human | PF00089 | 8.8 | Ki | ChEMBL |
| P08311 | CTSG | Homo sapiens | Human | PF00089 | 8.1 | Ki | ChEMBL;BindingDB |
| P23946 | CMA1 | Homo sapiens | Human | PF00089 | 7.7 | Ki | ChEMBL;BindingDB |