Ligand Data
Ligand
| Name | cyclopamine |
| SMILES | O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C |
| InChIKey | QASFUMOKHFSJGL-LAFRSMQTSA-N |
| Type | small-molecule |
| External Links | |
| Structure pdb | 4O9R 6D32 |
Structure
Properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 0 |
| Molecular weight | 411.3 |
Bioactivity
| Receptor | Affinity (nM) | Potency (nM) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Min | Avg | Max | Min | Avg | Max |
| SMO | SMO | Mouse | Frizzled | F (Frizzled) | 484 | 1271 | 1900 | |||
| SMO | SMO | Human | Frizzled | F (Frizzled) | 12.4 | 133.5 | 300.0 | |||