Ligand Data

Ligand

id 2317
Name maraviroc
SMILES O=C(C1CCC(CC1)(F)F)N[C@H](c1ccccc1)CCN1[C@@H]2CC[C@H]1CC(C2)n1c(C)nnc1C(C)C
InChIKey GSNHKUDZZFZSJB-HLMSNRGBSA-N
Type small-molecule
External Links
Structure pdb 4MBS

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 513.3


Bioactivity

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