Ligand · 314

314 · N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide

314, N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide (C36 H45 F2 N3 O3, 605.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component: 314
Formula: C36 H45 F2 N3 O3
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

314 in 2 structures; the first of them:

3CIB · Structure of BACE Bound to SCH727596 · 314 A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 19 more
3CIB · Structure of bace bound to SCH727596 · 314 A501 · binds SER71, GLY72, GLN73, GLY74, LEU91, ASP93, GLY95, SER96 and 19 more

Residues it binds most

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

Found with

TAR · D(-)-tartaric acid

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