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Ligand · 3OX

3OX · (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide

3OX, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide (C37 H48 N4 O7 S…

Component
3OX
Formula
C37 H48 N4 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3OX in 2 structures; the first of them:

  • 3OWN · Potent macrocyclic renin inhibitors · 3OX A500 · binds GLN16, ASP35, GLY37, SER38, ARG79, TYR80, SER81, THR82 and 20 more
  • 3OWN · Potent macrocyclic renin inhibitors · 3OX A500 · binds GLN16, ASP35, GLY37, SER38, ARG79, TYR80, SER81, THR82 and 20 more

Residues it binds most

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

Found with

  • 3OW · (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide
  • NA · Sodium ion
  • ACT · Acetate ion

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