Abstract：CB1 receptor belongs to G protein-coupled receptor. Using bovine rhodopsin as structural template, the 3D structure of CB1 receptor was built by homology modeling, and refined using molecular dynamics method. On the basis of the modeling, the components and structure of active site in CB1 receptor were analyzed, and the docking of rimonabant with CB1 receptor was investigated. The binding pattern revealed important residues that interacted with the rimonabant. The hydrogen bonding interaction between Lys192 and rimonabant is crucial for CB1 receptor antagonist.