Ligand Data

Ligand

id 2591
Name NDT9513727
SMILES CCCCn1c(CN(Cc2ccc3c(c2)OCO3)Cc2ccc3c(c2)OCO3)c(nc1c1ccccc1)c1ccccc1
InChIKey ITACCRHKSPSKKL-UHFFFAOYSA-N
Type small-molecule
External Links
Structure pdb 6C1Q 5O9H

Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 11
Molecular weight 573.3


Bioactivity

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