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Ligand · D3U

D3U · 2-PCPA derivative

D3U, 2-PCPA derivative (C36 H41 N9 O15 P2, 901.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
D3U
Formula
C36 H41 N9 O15 P2
Class
ligand
Structures
2
PDB entries
1

Binding sites

D3U in 2 structures; the first of them:

  • 6K3E · LSD1/Co-Rest structure with an inhibitor · D3U A912 · binds ILE284, GLY285, SER286, GLY287, VAL288, SER289, GLY290, LEU307 and 35 more
  • 6K3E · LSD1/CO-rest structure with an inhibitor · D3U A911 · binds GLY285, GLY287, VAL288, SER289, LEU307, GLU308, ALA309, ARG310 and 28 more

Residues it binds most

GLY 2, VAL 2, ALA 2, LEU 2, THR 2, SER 2, ARG 2, GLU 2, TRP 2, MET 2 (residue and the binding sites it lines).

Found with

  • CW0 · piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
  • CL · Chloride ion
  • ACT · Acetate ion
  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • MLA · Malonic acid
  • PEG · Di(hydroxyethyl)ether
  • CVO · Piperidin-4-ylmethyl 4-(aminomethyl)-4-fluoranyl-piperidine-1-carboxylate

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