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Ligand · 3YU

3YU · (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide

3YU, (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide (C28 H23 Cl N10 O, 551.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
3YU
Formula
C28 H23 Cl N10 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3YU in 2 structures; the first of them:

  • 4X6P · FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR… · 3YU A302 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more
  • 4X6P · Factor xia (pichia pastoris; C500S [C122S]) in complex with the inhibitor… · 3YU A302 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more

Residues it binds most

CYS 4, GLY 4, ASP 4, HIS 4, LEU 4, SER 4, TYR 4, ALA 4, ARG 4, ILE 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CIT · Citric acid
  • GOL · Glycerol

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