{"resolution": "1.4", "ligand_mw": "424.94%%424.94", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECTTSCSEEEEEEEEETTEEEEEEEEECCCC", "inchi": "InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2%%InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "Transthyretin in complex with 2,6-dibromo-4-(2,6-dichlorophenethyl)phenol", "description": "They develop potent and selective TTR kinetic stabilizers that rescue cells from the cytotoxic effects of TTR amyloidogenesis using stilbene and dihydrostilbene analogues. Six analogues were definitively categorized as kinetic stabilizers by evaluating dissociation time-courses.", "type": "Inhibitor complex", "ligand_smiles": "c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl%%c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl", "chain_id": "A%%B", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "IW2:A:C14 H10 Br2 Cl2 O:424.94:2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol:c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl:InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2:ZTXSVCNYFKOGBX-UHFFFAOYSA-N;IW2:B:C14 H10 Br2 Cl2 O:424.94:2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol:c1cc(c(c(c1)Cl)CCc2cc(c(c(c2)Br)O)Br)Cl:InChI=1S/C14H10Br2Cl2O/c15-10-6-8(7-11(16)14(10)19)4-5-9-12(17)2-1-3-13(9)18/h1-3,6-7,19H,4-5H2:ZTXSVCNYFKOGBX-UHFFFAOYSA-N", "pmid": "20043671", "mutation_s_field": "No", "author": "Choi, S., Reixach, N., Connelly, S., Johnson, S.M., Wilson, I.A., Kelly, J.W.", "pdb_id": "3IMS", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "ZTXSVCNYFKOGBX-UHFFFAOYSA-N%%ZTXSVCNYFKOGBX-UHFFFAOYSA-N", "ligand_name": "2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol%%2,6-dibromo-4-[2-(2,6-dichlorophenyl)ethyl]phenol", "ligand_formula": "C14 H10 Br2 Cl2 O%%C14 H10 Br2 Cl2 O", "ligand_id": "IW2%%IW2", "r_value_free": "0.19699999", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4 ", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE", "pdb_classification": "HORMONE", "reference": "J Am Chem Soc. 2010 Feb 3;132(4):1359-70.", "length": "127", "entry": "S-0253"}