Molecule Details
| InChIKey | FIQKPIGOFVCVTG-PIJHVLQJSA-N |
|---|---|
| Compound Name | H-Gly-Cys-Cys-Ser-Asp-Pro-Arg-Cys-Asn-Tyr-Asp-His-Pro-Glu-Ile-Cys-NH2 |
| Canonical SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CS)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.37 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O75899 | GABBR2 | Homo sapiens | Human | PF00003 PF01094 PF18455 | 8.6 | IC50 | ChEMBL |
| Q9UBS5 | GABBR1 | Homo sapiens | Human | PF00003 PF01094 PF00084 | 8.6 | IC50 | ChEMBL;BindingDB |
| Q9UGM1 | CHRNA9 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | IC50 | ChEMBL |
| Q9GZZ6 | CHRNA10 | Homo sapiens | Human | PF02931 PF02932 | 6.0 | IC50 | ChEMBL;BindingDB |