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Ligand · 39E

39E · (R)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl) methyl)-6-methylpyrimidine

39E, (R)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl) methyl)-6-methylpyrimidine (C8 H20 B9 N4, 269.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
39E
Formula
C8 H20 B9 N4
Class
ligand
Structures
1
PDB entries
1

Binding sites

39E in 1 structure; the first of them:

  • 2C2T · Human dihydrofolate reductase complexed with NADPH and 2,4-diamino-5… · 39E A1189 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 5 more

Residues it binds most

ILE 2, LEU 2, PHE 2, THR 2, VAL 2, ALA 2, GLU 2, TYR 2 (residue and the binding sites it lines).

Found with

  • 39B · (S)-2,4-diamino-5-((7,8-dicarbaundecaboran-7-yl) methyl)-6-methylpyrimidine
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • GOL · Glycerol

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