Ligand Data

Ligand

id 826
Name CCR2-RA-[R]
SMILES Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C
InChIKey VQNLJXWZGVRLBA-MRXNPFEDSA-N
Type small-molecule
External Links
Structure pdb 5T1A

Structure

Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight 351.1


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCR5 CCR5 Human Chemokine A (Rhodopsin) 703 703 703
CCR2 CCR2 Human Chemokine A (Rhodopsin) 12.0 64.9 170.0