Molecule Details
| InChIKey | JRNGHBUUFQDBPT-LAQRGFTBSA-N |
|---|---|
| Compound Name | inhibitor 1 [Colombo et al., 2012] |
| Canonical SMILES | C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q8IU80 | TMPRSS6 | Homo sapiens | Human | PF00057 PF01390 PF00089 | 11.0 | Ki | ChEMBL;BindingDB |
| Q9Y5Y6 | ST14 | Homo sapiens | Human | PF00431 PF00057 PF01390 PF00089 | 11.0 | Ki | ChEMBL |
| P07477 | PRSS1 | Homo sapiens | Human | PF00089 | 9.0 | Ki | ChEMBL |
| P07478 | PRSS2 | Homo sapiens | Human | PF00089 | 9.0 | Ki | ChEMBL |
| P35030 | PRSS3 | Homo sapiens | Human | PF00089 | 9.0 | Ki | ChEMBL |
| P05981 | HPN | Homo sapiens | Human | PF09272 PF00089 | 9.0 | Ki | ChEMBL |
| O60235 | TMPRSS11D | Homo sapiens | Human | PF01390 PF00089 | 8.1 | Ki | ChEMBL |
| P00734 | F2 | Homo sapiens | Human | PF00594 PF00051 PF09396 PF00089 | 6.2 | Ki | ChEMBL |