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Ligand · IB4

IB4 · 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide

IB4, 6-cyclopropyl-N-[5-(dimethylcarbamoyl)-1-(2-methoxyethyl)-1H-pyrazol-4-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide (C22 H26 N8 O3, 450.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every…

Component
IB4
Formula
C22 H26 N8 O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

IB4 in 1 structure; the first of them:

  • 5SDY · CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH… · IB4 A803 · binds TYR524, LEU635, LEU675, SER677, VAL678, THR685, THR688, ALA689 and 5 more

Residues it binds most

LEU 1, PHE 1, THR 1, ALA 1, GLN 1, GLY 1, MET 1, SER 1, TYR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion

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