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Ligand · 896

896 · N-ethyl-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide

896, N-ethyl-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide (C21 H29 N3 O2, 355.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
896
Formula
C21 H29 N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

896 in 2 structures; the first of them:

  • 2UUJ · Thrombin-hirugen-gw473178 ternary complex at 1.32A resolution · 896 B1250 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 2UUJ · Thrombin-hirugen-GW473178 ternary complex at 1.32A resolution · 896 B1250 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLU 2, GLY 2, SER 2, TRP 2, TYR 2, ALA 2, ASN 2, ASP 2, CYS 2, HIS 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion

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