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Ligand · 897

897 · N-[3-(tert-butylamino)-3-oxopropyl]-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide

897, N-[3-(tert-butylamino)-3-oxopropyl]-N-isopropyl-3-methyl-5-{[(2S)-2-(pyridin-4-ylamino)propyl]oxy}benzamide (C26 H38 N4 O3, 454.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
897
Formula
C26 H38 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

897 in 2 structures; the first of them:

  • 2UUK · Thrombin-hirugen-gw420128 ternary complex at 1.39A resolution · 897 B2250 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 2UUK · Thrombin-hirugen-GW420128 ternary complex at 1.39A resolution · 897 B2250 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more

Residues it binds most

GLY 2, GLU 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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