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Ligand · LRI

LRI · 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine

LRI, 6-chloro-N~4~-cyclopropyl-N~4~-[(thiophen-2-yl)methyl]pyrimidine-2,4-diamine (C12 H13 Cl N4 S, 280.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
LRI
Formula
C12 H13 Cl N4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

LRI in 2 structures; the first of them:

  • 5IV3 · Crystal structure of human soluble adenylyl cyclase in complex with… · LRI A506 · binds PHE45, LEU94, LYS95, PHE96, ALA97, LEU102, PHE165, LEU166 and 7 more
  • 5IV4 · Crystal structure of the human soluble adenylyl cyclase in complex with the allosteric… · LRI A501 · binds PHE45, LEU94, LYS95, PHE96, ALA97, LEU102, PHE165, LEU166 and 7 more

Residues it binds most

PHE 2, LEU 2, VAL 2, ALA 2, ARG 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • APC · Diphosphomethylphosphonic acid adenosyl ester
  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide

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