Ligand · 3LL
3LL · (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine
3LL, (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine (C25 H19 F N4 O3, 442.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- 3LL
- Formula
- C25 H19 F N4 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
3LL in 2 structures; the first of them:
- 4RCD · Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor · 3LL A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more
- 4RCD · Crystal structure of BACE1 in complex with a 2-aminooxazoline 4- azaxanthene inhibitor · 3LL A501 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 13 more
Residues it binds most
GLY 2, ILE 2, ASP 2, THR 2, TRP 2, TYR 2, ARG 2, GLN 2, LEU 2, PHE 2 (residue and the binding sites it lines).
Found with
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