{"reference": "J Med Chem. 2004 Jan 15;47(2):355-74", "alternative_name": "ATTR, Prealbumin, TBPA", "entry": "S-0088", "gene_names": "TTR, PALB", "remarks": "Human transthyretin (TTR) complexed with diflunisal analogues- TTR.3',5'-difluorobiphenyl-4-carboxylic acid", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSSEEEEEECHHHHHHTTTCCCSEEEEEEEEECCCCCCCCEEEEEEEETTEEEEEEEECCCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHTTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC", "chain_id": "A%%B", "inchi": "InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)%%InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)", "amyloid_non_amyloid": "Non-amyloid", "pmid": "14711308", "ligand_smiles": "c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O%%c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O", "keyword": "Transthyretin", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "uniprot_ac": "P02766", "protein_name": "Transthyretin", "r_value_free": "0.24600000", "mutation_s_field": "No", "ligand_mw": "234.2%%234.2", "pdb_id": "2B9A", "inchi_key": "VCEFNMHMLWBFNV-UHFFFAOYSA-N%%VCEFNMHMLWBFNV-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "HORMONE/GROWTH FACTOR", "type": "Inhibitor complex", "author": "Adamski-Werner, S.L., Palaninathan, S.K., Sacchettini, J.C., Kelly, J.W.", "species": "Homo sapiens", "ligand_id": "FBC%%FBC", "method": "X-RAY DIFFRACTION", "ligand_name": "3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID%%3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID", "global_stoichiometry": "Homo 4-mer - A4", "resolution": "1.54", "ligand_formula": "C13 H8 F2 O2%%C13 H8 F2 O2", "length": "127", "ligstr": "FBC:A:C13 H8 F2 O2:234.2:3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID:c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O:InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17):VCEFNMHMLWBFNV-UHFFFAOYSA-N;FBC:B:C13 H8 F2 O2:234.2:3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID:c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O:InChI=1S/C13H8F2O2/c14-11-5-10(6-12(15)7-11)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17):VCEFNMHMLWBFNV-UHFFFAOYSA-N", "description": "Analogues of diflunisal, an FDA-approved nonsteroidal antiinflammatory drug (NSAID), were synthesized and evaluated as inhibitors of transthyretin (TTR) aggregation, including amyloid fibril formation. Biophysical studies reveal that inhibitors dramatically slow tetramer dissociation (the rate-determining step of amyloidogenesis) over a duration of 168 h. This appears to be achieved through ground-state stabilization, which raises the kinetic barrier for tetramer dissociation."}