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Ligand · XRT

XRT · 3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide

XRT, 3-[3-({[(4-bromophenyl)methyl]amino}methyl)-1H-indol-1-yl]-N-methylpropanamide (C20 H22 Br N3 O, 400.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
XRT
Formula
C20 H22 Br N3 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

XRT in 1 structure; the first of them:

  • 7G38 · Crystal Structure of rat Autotaxin in complex with… · XRT A901 · binds ILE167, SER169, PHE210, LEU213, TYR214, LEU216, ALA217, TRP254 and 7 more

Residues it binds most

PHE 1, ALA 1, LEU 1, TYR 1, GLU 1, ILE 1, MET 1, SER 1, TRP 1, VAL 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ACT · Acetate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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