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Ligand · AXB

AXB · N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide

AXB, N-{[2-(2-amino-3,4-dioxocyclobut-1-en-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-4-oxo-3,5,6,8-tetrahydro-4H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidine-2-carboxamide 7,7-dioxide (C24 H21 N5 O6 S2, 539.6 g/mol), in the MolNFT…

Component
AXB
Formula
C24 H21 N5 O6 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

AXB in 4 structures; the first of them:

  • 3DPE · Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor · AXB A1 · binds ILE159, LEU160, ALA161, LEU193, VAL194, HIS197, GLU198, HIS207 and 15 more
  • 3DPF · Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor · AXB A1 · binds GLY158, ILE159, LEU160, ALA161, LEU193, VAL194, HIS197, GLU198 and 15 more
  • 3DPE · Crystal structure of the complex between mmp-8 and a non-zinc chelating inhibitor · AXB A1 · binds ILE159, LEU160, ALA161, LEU193, VAL194, HIS197, GLU198, HIS207 and 15 more
  • 3DPF · Crystal structure of the complex between mmp-8 and a non-zinc chelating inhibitor · AXB A1 · binds GLY158, ILE159, LEU160, ALA161, LEU193, VAL194, HIS197, GLU198 and 15 more

Residues it binds most

ALA 6, LEU 6, TYR 6, ASN 6, PRO 6, GLY 6, HIS 6, PHE 6, ARG 6, GLU 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • HAE · Acetohydroxamic acid

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