Ligand Data
Ligand
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 |