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Ligand · T3T

T3T · 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl) methanamine

T3T, 1-(1,3-benzodioxol-5-yl)-~{N}-(pyridin-2-ylmethyl) methanamine (C14 H14 N2 O2, 242.3 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 residues it…

Component
T3T
Formula
C14 H14 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

T3T in 2 structures; the first of them:

  • 7B9I · Notum Fragment 297 · T3T A509 · binds GLY126, GLY127, TRP128, TYR129, VAL187, SER232, ALA233, THR236 and 7 more
  • 7B9I · Notum fragment 297 · T3T A509 · binds GLY126, GLY127, TRP128, TYR129, SER232, ALA233, PHE268, PRO287 and 4 more

Residues it binds most

PHE 2, TYR 4, GLU 4, GLY 2, SER 4, ALA 2, ARG 2, ASP 2, HIS 2, LYS 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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