1TOU

Crystal structure of human adipocyte fatty acid binding protein in complex with a non-covalent ligand

Summary for 1TOU

Entry DOI	10.2210/pdb1tou/pdb
Related	1TOW
Descriptor	Fatty acid-binding protein, adipocyte, 2-[(2-OXO-2-PIPERIDIN-1-YLETHYL)SULFANYL]-6-(TRIFLUOROMETHYL)PYRIMIDIN-4-OL (3 entities in total)
Functional Keywords	transport, lipid-binding, lipid transport
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P15090
Total number of polymer chains	1
Total formula weight	14930.02
Authors	Ringom, R.,Axen, E.,Uppenberg, J.,Lundback, T.,Rondahl, L.,Barf, T. (deposition date: 2004-06-15, release date: 2004-08-24, Last modification date: 2024-03-13)
Primary citation	Ringom, R.,Axen, E.,Uppenberg, J.,Lundback, T.,Rondahl, L.,Barf, T. Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors. Bioorg.Med.Chem.Lett., 14:4449-4452, 2004 Cited by PubMed Abstract: The synthesis and biological evaluation of novel human A-FABP inhibitors based on the 6-(trifluoromethyl)pyrimidine-4(1H)-one scaffold is described. Two series of compounds, bearing either an amino or carbon substituent in the 2-position of the pyrimidine ring were investigated. Modification of substituents and chain length optimization led to novel compounds with low micromolar activity and good selectivity for human A-FABP. PubMed: 15357970 DOI: 10.1016/j.bmcl.2004.06.058 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2 Å)

Structure validation