Ligand Data

Ligand

id 112356
Name CHEMBL3647698
SMILES CC(C1C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=NC=C4)CC5=CC=CC=C5)CCCN=C(N)N)NCCSCC6CC7C(CC8=CNC9=CC=CC7=C89)N(C6)C)CC1=CC=CC=C1)O
InChIKey JMVMBUDRQOJPSQ-IOJSDMHCSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 15
Hydrogen bond donors 15
Rotatable bonds 23
Molecular weight 1440.8


Bioactivity

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