GL1X · GenesisL1 explorer

Ligand · 39B

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

39B, (S)-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 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
39B
Formula
C8 H20 B9 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

39B in 2 structures; the first of them:

  • 2C2T · Human Dihydrofolate Reductase Complexed With NADPH and… · 39B A1188 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 5 more
  • 2C2T · Human dihydrofolate reductase complexed with NADPH and 2,4-diamino-5… · 39B A1188 · binds ILE7, VAL8, ALA9, LEU22, GLU30, PHE31, PHE34, THR56 and 5 more

Residues it binds most

ILE 6, LEU 6, PHE 6, THR 6, VAL 6, ALA 6, GLU 6, TYR 6 (residue and the binding sites it lines).

Found with

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

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