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Ligand · XMD

XMD · (2R)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester

XMD, (2R)-4-[(6-chloro-2-naphthalenyl)sulfonyl]-6-oxo-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester (C28 H31 Cl N4 O5 S, 571.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
XMD
Formula
C28 H31 Cl N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XMD in 2 structures; the first of them:

  • 1IQF · Human coagulation factor Xa in complex with M55165 · XMD A401 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 13 more
  • 1IQF · Human coagulation factor xa in complex with M55165 · XMD A401 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 13 more

Residues it binds most

GLY 2, CYS 2, GLU 2, SER 2, TYR 2, ALA 2, ARG 2, ASP 2, GLN 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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