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The pocket in an enzyme where substrates bind and catalysis takes place.
Refers to a hydrocarbon that does not contain aromatic groups. Such structures are hydrophobic.
Refers to a cyclic hydrocarbon with completely delocalized pi electrons, e.g., benzene. Such structures are hydrophobic.
A small molecule with ideal geometry that is fitted between molecular fragments to merge them into a single molecule (Böhm 1992a).
A protein that catalyzes reactions.
A type of ligand that inhibits an enzyme's natural function by blocking binding of the natural substrate.
A position in space, not occupied by the enzyme, where an inhibitor atom can participate in favorable interactions with the enzyme (Böhm 1992a).
Refers to a nonpolar structure.
A molecule that binds to a protein.
A small molecule or a functional group with ideal geometry (Böhm 1992a).