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Ligand · 1BE

1BE · N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine

1BE, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine (C24 H27 Cl N4 O2 S, 471.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1BE
Formula
C24 H27 Cl N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1BE in 2 structures; the first of them:

  • 4I1C · Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors · 1BE A504 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134 and 14 more
  • 4I1C · Design and synthesis of thiophene dihydroisoquinolins as novel bace-1 inhibitors · 1BE A504 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134 and 14 more

Residues it binds most

GLY 2, ASP 2, GLN 2, ILE 2, LYS 2, SER 2, THR 2, ALA 2, ASN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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