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Ligand · 8MU

8MU · 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine

8MU, 5-[(3S)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine (C24 H25 N5 O2, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with…

Component
8MU
Formula
C24 H25 N5 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

8MU in 1 structure; the first of them:

  • 7RGJ · DFRA1 complexed with NADPH and 5-(3-(7-(4-(AMINOMETHYL)PHENYL)… · 8MU A203 · binds MET6, VAL7, ALA8, ILE21, TRP23, GLU28, PHE32, THR47 and 4 more

Residues it binds most

ILE 2, ASN 1, GLU 2, LEU 2, MET 1, PHE 2, TRP 2, ALA 1, LYS 1, SER 1 (residue and the binding sites it lines).

Found with

  • 560 · 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • CA · Calcium ion

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