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Ligand · RMG

RMG · 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine

RMG, 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine (C19 H28 N4 S2, 376.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
RMG
Formula
C19 H28 N4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

RMG in 2 structures; the first of them:

  • 6VV2 · Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348 · RMG A501 · binds TRP13, PHE17, ASP26, ALA33, TRP36, ARG37, VAL40, LEU63 and 8 more
  • 6VV2 · Crystal structure of eis from mycobacterium tuberculosis in complex with inhibitor SGT1348 · RMG A501 · binds TRP13, ASP26, ALA33, TRP36, ARG37, VAL40, LEU63, MET65 and 5 more

Residues it binds most

PHE 2, TRP 2, ALA 2, SER 2, ARG 2, ASP 2, GLU 2, HIS 2, LEU 2, MET 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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