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Ligand · 1B7

1B7 · N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine

1B7, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine (C21 H25 Cl N2 O2 S, 404.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1B7
Formula
C21 H25 Cl N2 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1B7 in 2 structures; the first of them:

  • 4I0D · Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors · 1B7 A504 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134 and 13 more
  • 4I0D · Design and synthesis of thiophene dihydroisoquinolins as novel bace-1 inhibitors · 1B7 A504 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134 and 13 more

Residues it binds most

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

Found with

  • ZN · Zinc ion

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