{"reference": "FEBS Lett. 2013 Aug 2;587(15):2325-31.", "alternative_name": "ATTR, Prealbumin, TBPA", "entry": "S-0325", "gene_names": "TTR, PALB", "remarks": "Crystal structure of transthyretin in complex with CHF5074 at neutral pH", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECCSCEEEEEEECTTSSEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECTTSCSEEEEEEEEETTEEEEEEEEECCCC", "chain_id": "A%%B", "inchi": "InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)%%InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21)", "amyloid_non_amyloid": "Non-amyloid", "pmid": "23792159", "ligand_smiles": "c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl%%c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl", "keyword": "Transthyretin", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "uniprot_ac": "P02766", "protein_name": "Transthyretin", "r_value_free": "0.23", "mutation_s_field": "No", "ligand_mw": "325.16%%325.16", "pdb_id": "4I85", "inchi_key": "LIYLTQQDABRNRX-UHFFFAOYSA-N%%LIYLTQQDABRNRX-UHFFFAOYSA-N", "ec_number": "", "pdb_classification": "transport protein/inhibitor", "type": "Inhibitor complex", "author": "Zanotti, G., Cendron, L., Folli, C., Florio, P., Imbimbo, B.P., Berni, R.", "species": "Homo sapiens", "ligand_id": "H50%%H50", "method": "X-RAY DIFFRACTION", "ligand_name": "1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid%%1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid", "global_stoichiometry": "Homo 4-mer - A4 ", "resolution": "1.67", "ligand_formula": "C16 H11 Cl2 F O2%%C16 H11 Cl2 F O2", "length": "127", "ligstr": "H50:A:C16 H11 Cl2 F O2:325.16:1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid:c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl:InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21):LIYLTQQDABRNRX-UHFFFAOYSA-N;H50:B:C16 H11 Cl2 F O2:325.16:1-(3',4'-dichloro-2-fluorobiphenyl-4-yl)cyclopropanecarboxylic acid:c1cc(c(cc1c2ccc(cc2F)C3(CC3)C(=O)O)Cl)Cl:InChI=1S/C16H11Cl2FO2/c17-12-4-1-9(7-13(12)18)11-3-2-10(8-14(11)19)16(5-6-16)15(20)21/h1-4,7-8H,5-6H2,(H,20,21):LIYLTQQDABRNRX-UHFFFAOYSA-N", "description": "Structural evidence has been obtained by X-ray analysis for the native state stabilization of I84S TTR by two chemically distinct fibrillogenesis inhibitors. They fully prevent the acidic pH-induced protein conformational change as a result of a long-range stabilizing effect."}