Molecule Details
| InChIKey | VRMZLUPLYRHORK-GIBJNIQWSA-N |
|---|---|
| Compound Name | cyclo[Arg-Ser-Ile-Pro-Pro-Ile-Cys(1)-Asn-Pro-Asn-Gly-Trp-Cys(1)-Ile] |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9P0G3 | KLK14 | Homo sapiens | Human | PF00089 | 8.7 | Ki | ChEMBL;BindingDB |
| Q9Y5K2 | KLK4 | Homo sapiens | Human | PF00089 | 8.1 | Ki | ChEMBL;BindingDB |
| Q9Y337 | KLK5 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 6.4 | Ki | ChEMBL |