Ligand Data

Ligand

id 99307
Name CHEMBL278085
SMILES O=C(O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CCCc3ccccc3)CC2)[C@@H](c2cccc(F)c2)C1
InChIKey OMBXIIQERBKCSZ-FAOMPSFFSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight 506.3


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCR5 CCR5 Human Chemokine A (Rhodopsin) 0.5 0.5 0.5