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Ligand · KE9

KE9 · (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid

KE9, (E)-3-(3,5-difluoro-4-((1R,3R)-2-(2-fluoro-2- methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indol-1-yl)phenyl)acrylic acid (C25 H25 F3 N2 O2, 442.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
KE9
Formula
C25 H25 F3 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

KE9 in 2 structures; the first of them:

  • 5ACC · A Novel Oral Selective Estrogen Receptor Down-regulator, AZD9496, drives Tumour Growth… · KE9 A1546 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, TRP383 and 15 more
  • 5ACC · A novel oral selective estrogen receptor down-regulator, AZD9496, drives tumour growth… · KE9 A1546 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, TRP383 and 15 more

Residues it binds most

LEU 2, MET 2, PHE 2, ALA 2, ARG 2, ASP 2, GLU 2, GLY 2, HIS 2, ILE 2 (residue and the binding sites it lines).

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