Ligand · 3MR

3MR · (4S)-4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide

3MR, (4S)-4-(2-amino-6-phenoxyquinazolin-3(4H)-yl)-N,4-dicyclohexyl-N-methylbutanamide (C31 H42 N4 O2, 502.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component: 3MR
Formula: C31 H42 N4 O2
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3MR in 2 structures; the first of them:

2Q15 · Structure of BACE complexed to compound 3a · 3MR A386 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, GLY74, LYS75 and 14 more
2Q15 · Structure of bace complexed to compound 3A · 3MR A386 · binds LEU30, ASP32, GLY34, SER35, VAL69, TYR71, GLY74, LYS75 and 14 more

Residues it binds most

ASP 2, GLY 2, ILE 2, LYS 2, THR 2, TRP 2, TYR 2, VAL 2, ARG 2, LEU 2 (residue and the binding sites it lines).

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