2026-10-03_00000127
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ligand
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37DN
Discovery of CNS Penetrant Transthyretin (TTR) Stabilizers with Heterocyclic Linkers;
X-ray diffraction 1.65Å
Protein #1
127 residues (91% resolved)
Raw Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Canonical Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Non polymer #2
A1DM0
InChI=1S/C16H22N4O/c1-11-15(12(2)19-18-11)20-9-6-13(7-10-20)14-5-4-8-17-16(14)21-3/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,19)
InChI=1S/C16H22N4O/c1-11-15(12(2)19-18-11)20-9-6-13(7-10-20)14-5-4-8-17-16(14)21-3/h4-5,8,13H,6-7,9-10H2,1-3H3,(H,18,19)
SMILES: Cc1c(c(n[nH]1)C)N2CCC(CC2)c3cccnc3OC
Cc1c(c(n[nH]1)C)N2CCC(CC2)c3cccnc3OC
Biounit #1
homo-dimer
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Model
Reference
100%