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Ligand · 1B8

1B8 · 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine

1B8, 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine (C21 H20 Br Cl N4 O2 S, 507.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1B8
Formula
C21 H20 Br Cl N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1B8 in 2 structures; the first of them:

  • 4I0E · Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors · 1B8 A504 · binds GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134, GLY135 and 12 more
  • 4I0E · Design and synthesis of thiophene dihydroisoquinolins as novel bace-1 inhibitors · 1B8 A504 · binds GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134, GLY135 and 12 more

Residues it binds most

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

Found with

  • ZN · Zinc ion

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