GL1X · GenesisL1 explorer

Ligand · 7FE

7FE · ~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2, 4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl) phenyl]methyl]benzamide

7FE, ~{N}-[4-(2-chloranyl-5-methyl-pyrimidin-4-yl)phenyl]-2, 4-bis(oxidanyl)-~{N}-[[4-(pyrrolidin-1-ylmethyl) phenyl]methyl]benzamide (C30 H29 Cl N4 O3, 529.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
7FE
Formula
C30 H29 Cl N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

7FE in 2 structures; the first of them:

  • 5M4P · Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors… · 7FE A401 · binds GLU243, LEU244, LYS246, ASN247, ALA248, ARG250, ALA251, GLU254 and 13 more
  • 5M4P · Application of off-rate screening in the identification of novel pan- isoform inhibitors… · 7FE A401 · binds LEU244, LYS246, ASN247, ARG250, ALA251, GLU254, ASP282, GLY284 and 5 more

Residues it binds most

LEU 2, ALA 2, GLY 2, GLU 2, ARG 2, ASN 2, ASP 2, LYS 2, SER 1, THR 2 (residue and the binding sites it lines).

Found with

  • TF3 · N-(2-aminoethyl)-2-{3-chloro-4-[(4-isopropylbenzyl) oxy]phenyl} acetamide
  • CL · Chloride ion

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