The NMR structure is presented for compound <B>1 (BMS-480404) (Ki = 33 (±2) nM) bound to keratinocytefatty acid-binding protein. This article describes interactions between a high affinity drug-like compoundand a member of the fatty acid-binding protein family. A benzyl group ortho to the mandelic acid in 1occupies an area of the protein that fatty acids do not normally contact. Similar to that in the kFABP-palmitic acid structure, the acid moiety in 1 is proximal to R129 and Y131. Computational modeling indicatesthat the acid moiety in 1 interacts indirectly via a modeled water molecule to R109.