Ligand · 1BB
1BB · 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile
1BB, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile (C24 H22 Cl N5 O, 431.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…
- Component
- 1BB
- Formula
- C24 H22 Cl N5 O
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
1BB in 2 structures; the first of them:
- 4I0Z · Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage… · 1BB A501 · binds GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134, GLY135 and 12 more
- 4I0Z · Structure-based design of novel dihydroisoquinoline bace-1 inhibitors that do not engage… · 1BB A501 · binds GLY72, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134, GLY135 and 12 more
Residues it binds most
GLY 2, ASP 2, GLN 2, LYS 2, THR 2, ARG 2, ASN 2, ILE 2, LEU 2, PHE 2 (residue and the binding sites it lines).
Found with
- ZN · Zinc ion
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