Ligand · HWE

HWE · (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione

HWE, (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione (C28 H45 N3 O4, 487.7 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its…

Component: HWE
Formula: C28 H45 N3 O4
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

HWE in 1 structure; the first of them:

6QCB · Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9 · HWE A102 · binds ASP33, GLY35, SER36, HIS77, TYR78, GLY79, SER80, PHE126 and 9 more

Residues it binds most

GLY 1, ILE 1, ASP 1, PHE 1, SER 1, TYR 1, HIS 1, MET 1, THR 1 (residue and the binding sites it lines).

Found with

BMA · beta-D-mannopyranose
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
PO3 · Phosphite ion
SO4 · Sulfate ion
DMS · Dimethyl sulfoxide

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