Ligand Data
Ligand
| Name | CHEMBL2371902 |
| SMILES | CCCCC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O |
| InChIKey | DFGYWNKGJINCNI-LVRNBHEBSA-N |
| Type | small-molecule |
| External Links |
Structure
Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 10 |
| Rotatable bonds | 13 |
| Molecular weight | 974.5 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| MC1 | MSHR | Human | Melanocortin | A (Rhodopsin) | 5.0 | 5.0 | 5.0 | |||
| MC4 | MC4R | Human | Melanocortin | A (Rhodopsin) | 3.0 | 3.0 | 3.0 | |||