The CAS Key Laboratory focuses on drug-target research associated with major disease treatment. The Laboratory specializes in analysis of the crystal structures of GPCR, ion channels, and nuclear receptors; the discovery and optimization of the ligands based on the elucidation of the structure-function relationship and the identification of new functions and mechanisms; the validation of novel drug targets by screening and designing small molecule ligands to regulate the physiological function of GPCR, ion channels and nuclear receptors. The Laboratory is dedicated to providing theoretic basis and to identifying lead compounds for drug discovery.