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Ligand · 53V

53V · 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

53V, 5-[(3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (C24 H26 N4 O, 386.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
53V
Formula
C24 H26 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

53V in 2 structures; the first of them:

  • 3EEM · Candida glabrata Dihydrofolate Reductase complexed with… · 53V A229 · binds ILE9, VAL10, ALA11, GLY23, ASN24, LEU25, ARG28, GLU32 and 11 more
  • 3EEM · Candida glabrata dihydrofolate reductase complexed with 2,4-diamino-5… · 53V A229 · binds ILE9, VAL10, ALA11, GLY23, ASN24, LEU25, ARG28, GLU32 and 11 more

Residues it binds most

ILE 4, LEU 4, PHE 4, THR 4, ALA 4, ARG 4, ASN 4, GLU 4, GLY 4, MET 4 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate

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