2026-10-03_00000128
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ligand
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37EF
Discovery of Neutral and CSF Penetrant Transthyretin (TTR) Stabilizers with Heterocyclic Linkers;
X-ray diffraction 1.28Å
Protein #1
127 residues (91% resolved)
Raw Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Canonical Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Non polymer #2
A1DM6
InChI=1S/C17H24N4O2/c1-11-16(12(2)20-19-11)21-9-6-13(7-10-21)15-14(22-3)5-8-18-17(15)23-4/h5,8,13H,6-7,9-10H2,1-4H3,(H,19,20)
InChI=1S/C17H24N4O2/c1-11-16(12(2)20-19-11)21-9-6-13(7-10-21)15-14(22-3)5-8-18-17(15)23-4/h5,8,13H,6-7,9-10H2,1-4H3,(H,19,20)
SMILES: Cc1c(c(n[nH]1)C)N2CCC(CC2)c3c(ccnc3OC)OC
Cc1c(c(n[nH]1)C)N2CCC(CC2)c3c(ccnc3OC)OC
Biounit #1
homo-dimer
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Model
Reference
100%