Ligand Data

Ligand

id 90094
Name CHEMBL2371680
SMILES CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1
InChIKey GSIADAXJIMEBNF-ABSFKKRFSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 16
Molecular weight 939.5


Bioactivity

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