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Ligand · IIA

IIA · 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-N-(1-isopropylpiperidin-4-yl)-1H-indole-2-carboxamide

IIA, 1-{[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl}-N-(1-isopropylpiperidin-4-yl)-1H-indole-2-carboxamide (C25 H27 Cl N4 O2 S, 483.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
IIA
Formula
C25 H27 Cl N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

IIA in 2 structures; the first of them:

  • 2BOH · Crystal structure of factor Xa in complex with compound "1" · IIA B1 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189 and 14 more
  • 2BOH · Crystal structure of factor xa in complex with compound "1" · IIA B1 · binds LYS96, GLU97, THR98, TYR99, ARG143, GLU147, PHE174, ASP189 and 14 more

Residues it binds most

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

Found with

  • CA · Calcium ion

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