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Ligand · XBR

XBR · 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid

XBR, 3-(1-(4-Chlorophenyl)-3,4-dihydro-1H-pyrido(3,4-b)indol-2(9H)-yl)propanoic acid (C20 H19 Cl N2 O2, 354.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
XBR
Formula
C20 H19 Cl N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XBR in 2 structures; the first of them:

  • 5AAU · Optimization of a novel binding motif to to (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2-m… · XBR A1553 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, TRP383, LEU384 and 13 more
  • 5AAU · Optimization of a novel binding motif to to (E)-3-(3,5… · XBR A1553 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, TRP383, LEU384 and 13 more

Residues it binds most

LEU 4, MET 4, VAL 4, ALA 4, ARG 4, GLU 4, GLY 4, HIS 4, ILE 4, PHE 4 (residue and the binding sites it lines).

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