Ligand Data

Ligand

id 1208
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