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Ligand · 54M

54M · (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine

54M, (5R)-5-(4-methoxyphenyl)-5-(3-pyrimidin-5-ylphenyl)-3,4-dihydropyrrol-2-amine (C21 H20 N4 O, 344.4 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
54M
Formula
C21 H20 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

54M in 2 structures; the first of them:

  • 4B77 · Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain · 54M A1504 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, ASN37 and 12 more
  • 4B77 · Aminoimidazoles as bace-1 inhibitors: from de novo design to ab-lowering in brain · 54M A1504 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, ASN37 and 12 more

Residues it binds most

GLY 2, ASP 2, ILE 2, THR 2, TRP 2, ARG 2, ASN 2, GLN 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide

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