2026-10-03_00000126
|
ligand
|
37DK
Discovery of CNS Penetrant Transthyretin (TTR) Stabilizers with Heterocyclic Linkers;
X-ray diffraction 1.16Å
Protein #1
127 residues (91% resolved)
Raw Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Canonical Sequence ...
GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPKE
Non polymer #2
A1DMZ
InChI=1S/C16H21N3/c1-12-16(13(2)18-17-12)19-10-8-15(9-11-19)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,17,18)
InChI=1S/C16H21N3/c1-12-16(13(2)18-17-12)19-10-8-15(9-11-19)14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H,17,18)
SMILES: Cc1c(c(n[nH]1)C)N2CCC(CC2)c3ccccc3
Cc1c(c(n[nH]1)C)N2CCC(CC2)c3ccccc3
Biounit #1
homo-tetramer
Download coordinates
Tube
Model
Reference
100%