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Ligand · IIE

IIE · 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-N-(1-isopropylpiperidin-4-yl)-1H-indole-2-carboxamide

IIE, 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-N-(1-isopropylpiperidin-4-yl)-1H-indole-2-carboxamide (C25 H29 Cl N4 O2, 453.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
IIE
Formula
C25 H29 Cl N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

IIE in 2 structures; the first of them:

  • 2BQW · Crystal structure of factor xa in complex with compound 45 · IIE B1246 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189 and 13 more
  • 2BQW · Crystal structure of factor xa in complex with compound 45 · IIE B1246 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189 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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