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Ligand · HMX

HMX · 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide

HMX, 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide (C12 H18 Cl N7 O, 311.8 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues…

Component
HMX
Formula
C12 H18 Cl N7 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

HMX in 3 structures; the first of them:

  • 6JYP · Crystal structure of uPA_H99Y in complex with 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methy… · HMX U301 · binds HIS57, TYR99, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 6 more
  • 5ZA7 · UPA-HMA · HMX U301 · binds HIS57, ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214 and 5 more
  • 6JYP · Crystal structure of UPA_H99Y in complex with 3-azanyl-5-(azepan-1… · HMX U301 · binds HIS57, TYR99, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 6 more

Residues it binds most

GLY 3, SER 3, CYS 3, ASP 3, GLN 3, HIS 3, TRP 3, VAL 3, TYR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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