Ligand · QK7

QK7 · (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine

QK7, (4aR,7aR)-7a-[(1R,2R)-2-(2-{[(1R,2R)-2-methylcyclopropyl]methoxy}propan-2-yl)cyclopropyl]-6-(pyrimidin-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine (C21 H31 N5 O S, 401.6 g/mol), in the MolNFT structures on…

Component: QK7
Formula: C21 H31 N5 O S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

QK7 in 2 structures; the first of them:

6UWV · BACE-1 in complex with compound #34 · QK7 A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 11 more
6UWV · Bace-1 in complex with compound #34 · QK7 A401 · binds SER10, GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35 and 11 more

Residues it binds most

GLY 4, SER 4, ASP 4, THR 4, ILE 4, ARG 4, GLN 4, LEU 4, PHE 4, TRP 4 (residue and the binding sites it lines).

Found with

SO4 · Sulfate ion
GOL · Glycerol

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