Ligand · 1BC
1BC · 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one
1BC, 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one (C27 H29 Cl N6 O S, 521.1 g/mol), in the MolNFT structures on GenesisL1: bound…
- Component
- 1BC
- Formula
- C27 H29 Cl N6 O S
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
1BC in 2 structures; the first of them:
- 4I12 · Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors · 1BC A501 · binds SER71, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134, GLY135 and 14 more
- 4I12 · Design and synthesis of thiophene dihydroisoquinolins as novel bace-1 inhibitors · 1BC A501 · binds SER71, GLN73, GLY74, LEU91, ASP93, TYR132, GLN134, GLY135 and 14 more
Residues it binds most
GLY 2, ASP 2, GLN 2, ILE 2, LYS 2, SER 2, THR 2, ALA 2, ARG 2, ASN 2 (residue and the binding sites it lines).
Found with
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