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Ligand · 7P0

7P0 · N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide

7P0, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide (C28 H24 Cl N7 O4, 558.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
7P0
Formula
C28 H24 Cl N7 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

7P0 in 4 structures; the first of them:

  • 4CRB · Creating novel F1 inhibitors through fragment based lead generation and structure aided… · 7P0 A1485 · binds ARG37D, HIS38, LEU39, CYS40, HIS57, CYS58, TYR143, LEU146 and 17 more
  • 5E2P · FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)… · 7P0 A301 · binds ARG39, HIS40, LEU41, CYS42, HIS57, CYS58, TYR143, LEU147 and 17 more
  • 4CRB · Creating novel F1 inhibitors through fragment based lead generation and structure aided… · 7P0 A1485 · binds ARG37D, HIS38, LEU39, CYS40, HIS57, CYS58, TYR143, LEU146 and 17 more
  • 5E2P · Factor xia in complex with the inhibitor N-[(1S)-1-benzyl-2-[2-[5… · 7P0 A301 · 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

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

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