Ligand · HHE

HHE · (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide

HHE, (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide (C30 H45 Cl N4 O4, 561.2 g/mol), in the MolNFT structures on…

Component: HHE
Formula: C30 H45 Cl N4 O4
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

HHE in 2 structures; the first of them:

3VUC · Human renin in complex with compound 5 · HHE A402 · binds GLN19, VAL36, ASP38, GLY40, SER41, ARG82, TYR83, SER84 and 16 more
3VUC · Human renin in complex with compound 5 · HHE A402 · binds GLN19, VAL36, ASP38, GLY40, SER41, ARG82, TYR83, SER84 and 16 more

Residues it binds most

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

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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