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Ligand · D91

D91 · 5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1H-indole

D91, 5-chloro-2-({3-isobutyl-4-[(5-pyridin-4-ylpyrimidin-2-yl)carbonyl]piperazin-1-yl}sulfonyl)-1H-indole (C26 H27 Cl N6 O3 S, 539.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
D91
Formula
C26 H27 Cl N6 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D91 in 2 structures; the first of them:

  • 1WU1 · Factor Xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)sulfonyl]-2-(2-methylpropyl… · D91 A700 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 11 more
  • 1WU1 · Factor xa in complex with the inhibitor 4-[(5-chloroindol-2-yl)… · D91 A700 · binds GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191, GLN192 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion

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