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Ligand · 6QX

6QX · ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine

6QX, ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine (C17 H24 N4 S, 316.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
6QX
Formula
C17 H24 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6QX in 2 structures; the first of them:

  • 5K75 · IRAK4 in complex with Compound 1 · 6QX A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, LYS213, VAL246, TYR262 and 9 more
  • 5K75 · IRAK4 in complex with compound 1 · 6QX A501 · binds MET192, GLY193, GLU194, VAL200, ALA211, TYR262, VAL263, TYR264 and 4 more

Residues it binds most

VAL 8, MET 8, TYR 8, GLY 8, LEU 8, SER 8, ALA 8, ASP 8, GLU 8, LYS 5 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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