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Ligand · ZXX

ZXX · methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate

ZXX, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate (C22 H32 N4 O6, 448.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
ZXX
Formula
C22 H32 N4 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZXX in 2 structures; the first of them:

  • 6X3R · Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors · ZXX A400 · binds ARG55, ILE57, PHE60, MET61, GLN63, GLY72, ALA101, ASN102 and 5 more
  • 6X3R · Human cyclophilin a bound to a series of acylcic and macrocyclic inhibitors · ZXX A400 · binds ARG55, ILE57, PHE60, MET61, GLN63, GLY72, ALA101, ASN102 and 4 more

Residues it binds most

ALA 2, GLN 2, PHE 2, ARG 2, ASN 2, GLY 2, HIS 2, ILE 2, MET 2, LEU 1 (residue and the binding sites it lines).

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