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Ligand · A48

A48 · 4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol

A48, 4-[(dimesitylboryl)(2,2,2-trifluoroethyl)amino]phenol (C26 H29 B F3 N O, 439.3 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 binds…

Component
A48
Formula
C26 H29 B F3 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

A48 in 2 structures; the first of them:

  • 2Q6J · Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand · A48 A700 · binds MET343, LEU346, THR347, ALA350, GLU353, TRP383, LEU384, LEU387 and 16 more
  • 2Q6J · Crystal structure of estrogen receptor alpha complexed to a B-N substituted ligand · A48 A700 · binds MET343, LEU346, THR347, ALA350, GLU353, TRP383, LEU384, LEU387 and 16 more

Residues it binds most

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

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