Ligand Data

Ligand

id 695
Name BU72
SMILES CO[C@@]12C=C[C@@]34[C@@]5([C@@H]1N[C@@H]([C@]2(C)C3)c1ccccc1)CCN([C@@H]4Cc1c5cc(O)cc1)C
InChIKey RGJHUVJQGAAZLK-GKTFKBBASA-N
Type small-molecule
External Links
Structure pdb 5C1M

Structure

Properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight 428.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max