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Ligand · 4K7

4K7 · (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide

4K7, (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide (C24 H29 Cl2 N3 O, 446.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
4K7
Formula
C24 H29 Cl2 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

4K7 in 2 structures; the first of them:

  • 4YZ9 · Crystal Structure of human phosphorylated IRE1alpha in complex with a type III kinase… · 4K7 A1001 · binds ALA581, GLU582, THR584, LYS599, ILE601, CYS605, PHE608, ALA609 and 15 more
  • 4YZ9 · Crystal structure of human phosphorylated IRE1ALPHA in complex with a type III kinase… · 4K7 A1001 · binds ALA581, GLU582, THR584, LYS599, ILE601, CYS605, PHE608, ALA609 and 15 more

Residues it binds most

ILE 6, VAL 6, ALA 6, GLU 6, LEU 6, ASP 6, CYS 6, HIS 6, LYS 6, SER 6 (residue and the binding sites it lines).

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