Molecule Details
| InChIKey | LRHBPVVPFQMQPP-GZBZYHQTSA-N |
|---|---|
| Compound Name | cyclo[Asn-Gly-Bip-Cys(1)-Tyr-DL-Nva-Ser-Tyr-Pro-Pro-Ile-Cys(1)-Asn-Pro] |
| Canonical SMILES | CCCC1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=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](Cc3ccc(O)cc3)NC(=O)[C@H](CO)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](Cc1ccc(-c3ccccc3)cc1)C(=O)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.89 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24158 | PRTN3 | Homo sapiens | Human | PF00089 | 8.2 | Ki | ChEMBL;BindingDB |
| P08246 | ELANE | Homo sapiens | Human | PF00089 | 7.8 | Ki | ChEMBL;BindingDB |
| P17538 | CTRB1 | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL |
| P40313 | CTRL | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL |
| Q6GPI1 | CTRB2 | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL;BindingDB |
| Q99895 | CTRC | Homo sapiens | Human | PF00089 | 6.3 | Ki | ChEMBL |