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Ligand · AXA

AXA · (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide

AXA, (5S)-5-(2-amino-2-oxoethyl)-4-oxo-N-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxamide (C22 H21 N5 O5 S, 467.5 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
AXA
Formula
C22 H21 N5 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

AXA in 2 structures; the first of them:

  • 3DNG · Crystal structure of the complex between MMP-8 and a non-zinc chelating inhibitor · AXA A1 · binds LEU160, PHE192, LEU193, VAL194, HIS197, GLU198, ALA213, LEU214 and 12 more
  • 3DNG · Crystal structure of the complex between mmp-8 and a non-zinc chelating inhibitor · AXA A1 · binds LEU160, PHE192, LEU193, VAL194, HIS197, GLU198, ALA213, LEU214 and 12 more

Residues it binds most

LEU 4, TYR 4, ALA 4, ASN 4, PHE 4, PRO 4, ARG 4, GLU 4, HIS 4, SER 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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