Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T45593 Target Info
Target Name Microtubule-associated protein tau (MAPT)
Synonyms tau; Paired helical filamenttau; Paired helical filament-tau; Neurofibrillary tangle protein; MTBT1; MAPTL
Target Type Clinical trial Target
Gene Name MAPT
UniProt ID
TAU_HUMAN
Ligand General Information  Top
Ligand Name (2s)-2-(2-Methoxyethyl)pyrrolidine Ligand Info
Canonical SMILES COCCC1CCCN1
InChI 1S/C7H15NO/c1-9-6-4-7-3-2-5-8-7/h7-8H,2-6H2,1H3/t7-/m0/s1
InChIKey XSVHOPJZMMLWKO-ZETCQYMHSA-N
PubChem Compound ID 75464872
Drug Binding Sites of Target  Top
PDB ID: 4Y32      Crystal structure of C-terminal modified Tau peptide-hybrid 109B with 14-3-3sigma
Method X-ray diffraction Resolution 1.70 Å Mutation No [1]
PDB Sequence
RTPLPT
Residue
Distance (Å)
LEU215
3.767
Residue
Distance (Å)
THR217
1.768
PDB ID: 4Y3B      Crystal structure of C-terminal modified Tau peptide-hybrid 201D with 14-3-3sigma
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
RTPLPT
Residue
Distance (Å)
LEU215
4.993
PRO216
3.060
Residue
Distance (Å)
THR217
2.572
References  Top
REF 1 Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew Chem Int Ed Engl. 2015 Dec 21;54(52):15720-4.

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