Ligand · BJC

BJC · (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide

BJC, (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide (C35 H51 N3 O3, 561.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: BJC
Formula: C35 H51 N3 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

BJC in 2 structures; the first of them:

3K5G · Human bace-1 complex with bjc060 · BJC A387 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 16 more
3K5G · Human bace-1 complex with BJC060 · BJC A387 · binds GLY11, GLN12, GLY13, LEU30, ASP32, GLY34, SER35, VAL69 and 16 more

Residues it binds most

GLY 6, ILE 6, THR 6, ASP 6, GLN 6, TYR 6, ARG 6, LEU 6, PHE 6, PRO 6 (residue and the binding sites it lines).

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