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Ligand · B9T

B9T · ~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide

B9T, ~{N}-[(1~{R},2~{S})-1-(2-bromanyl-4-cyano-phenoxy)-1-(2-cyclopropylpyrimidin-5-yl)propan-2-yl]-2,2-bis(fluoranyl)propanamide (C20 H19 Br F2 N4 O2, 465.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
B9T
Formula
C20 H19 Br F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

B9T in 2 structures; the first of them:

  • 6EL7 · Glucocorticoid Receptor in complex with compound 31 · B9T A802 · binds MET560, LEU563, ASN564, LEU566, GLY567, GLN570, TRP600, MET601 and 12 more
  • 6EL7 · Glucocorticoid receptor in complex with compound 31 · B9T A802 · binds MET560, LEU563, ASN564, LEU566, GLY567, GLN570, TRP600, MET601 and 12 more

Residues it binds most

MET 2, CYS 2, GLN 2, LEU 2, PHE 2, ARG 2, ASN 2, GLY 2, ILE 2, THR 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol

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