Ligand · 3TO

3TO · 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine

3TO, 3-[2-(3-{[(furan-2-ylmethyl)(methyl)amino]methyl}phenyl)ethyl]pyridin-2-amine (C20 H23 N3 O, 321.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component: 3TO
Formula: C20 H23 N3 O
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3TO in 2 structures; the first of them:

3KN0 · Structure of BACE bound to SCH708236 · 3TO A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 11 more
3KN0 · Structure of bace bound to SCH708236 · 3TO A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 11 more

Residues it binds most

GLY 4, SER 4, ASP 4, THR 4, GLN 4, ILE 4, ALA 4, LEU 4, PHE 4, TRP 4 (residue and the binding sites it lines).

Found with

TLA · L(+)-tartaric acid

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