GL1X · GenesisL1 explorer

Ligand · 3Y3

3Y3 · 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea

3Y3, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[2-(aminomethyl)-5-chlorobenzyl]urea (C27 H26 Cl2 N8 O, 549.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3Y3
Formula
C27 H26 Cl2 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3Y3 in 2 structures; the first of them:

  • 4X6M · FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1… · 3Y3 A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 16 more
  • 4X6M · Factor xia in complex with the inhibitor 1-{(1S)-1-[4-(3-amino-1H… · 3Y3 A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, ILE151 and 16 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.