Molecule Details
| InChIKey | KWSMBEJYQLCPRA-MFPJKNJCSA-N |
|---|---|
| Compound Name | N(1)Gly-Arg-Cys(2)-Thr-Arg-Ser-Ile-Pro-Pro-Ile-Cys(2)-Phe-Pro-Asp(1)-OH |
| Canonical SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)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](C(=O)O)CC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.53 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 10.5 | Ki | ChEMBL;BindingDB |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 10.5 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 10.5 | Ki | ChEMBL |
| P00747 | PLG | Homo sapiens | Human | PF00051 PF00024 PF00089 | 6.9 | Ki | ChEMBL;BindingDB |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.4 | Ki | ChEMBL;BindingDB |
| Q8IU80 | TMPRSS6 | Homo sapiens | Human | PF00057 PF01390 PF00089 | 6.3 | Ki | ChEMBL;BindingDB |