GL1X · GenesisL1 explorer

Ligand · F63

F63 · N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine

F63, N-methyl-1-[5-(pyridin-3-yloxy)furan-2-yl]methanamine (C11 H12 N2 O2, 204.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
F63
Formula
C11 H12 N2 O2
Class
ligand
Structures
6
PDB entries
4

Binding sites

F63 in 6 structures; the first of them:

  • 4Y57 · Endothiapepsin in complex with fragment 63 · F63 A404 · binds ASP33, ASP35, TYR79, GLY80, ASP81, SER83, SER115, PHE116 and 4 more
  • 5MB0 · Cocktail experiment A: fragments 63, 267, and 291 in complex with Endothiapepsin · F63 A342 · binds ASP11, ASP15, ALA16, SER115, GLU118, ASP119, ILE122, THR223
  • 6FSO · Crystal Structure of TGT in complex with methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})am… · F63 A406 · binds GLU173, ARG177, GLN213
  • 5MB0 · Cocktail experiment a: fragments 63, 267, and 291 in complex with endothiapepsin · F63 A342 · binds ASP11, ASP15, ALA16, SER115, GLU118, ASP119, ILE122, THR223
  • 6FSO · Crystal structure of tgt in complex with METHYL({[5-(pyridin-3-yloxy)… · F63 A406 · binds GLU173, ARG177, GLN213
  • 6ZZ2 · Cocktail experiment E: fragments 52, 58, and 63 at 90 mm concentration in complex with… · F63 A401 · binds ASP33, ASP35, TYR79, ASP81, SER83, SER115, PHE116, ASP119 and 4 more

Residues it binds most

ASP 4, SER 4, GLU 4, ILE 4, THR 4, GLY 2, ALA 2, ARG 2, GLN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • ACT · Acetate ion
  • 47V · 2,5-dimethyl-N-(pyridin-4-yl)furan-3-carboxamide
  • F91 · N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
  • ZN · Zinc ion
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol
  • EDO · 1,2-ethanediol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.