Metal-based coordination compounds have very special place in bioinorganic chemistry because of their different structural arrangements and significant application in medicine. Rapid progress in this field increasingly enables the targeted design and synthesis of metal-based pharmaceutical agents that fulfill valuable roles as diagnostic or therapeutic agents. Various coordination compounds have important biological functions, both those initially present in the body (endogenous) and those entering the organisms from the external environment (exogenous): vitamins, drugs, toxic substances, etc. In the therapeutic and diagnostic practice, both the essential for all living organisms and the trace metals are used in metal-containing coordination compounds. In the current review, the most important functional biologically active compounds were classified group by group according to the position of the elements in the periodic table.