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Ligand · 43T

43T · 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide

43T, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide (C24 H29 F N4 O2, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
43T
Formula
C24 H29 F N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

43T in 2 structures; the first of them:

  • 4S1G · Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl… · 43T A502 · binds THR84, GLN85, VAL102, ASP104, GLY106, SER107, TYR149, SER150 and 13 more
  • 4S1G · Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)… · 43T A502 · binds THR84, GLN85, VAL102, ASP104, GLY106, SER107, TYR149, SER150 and 13 more

Residues it binds most

SER 4, ALA 4, ASP 4, GLY 4, PHE 4, THR 4, VAL 4, GLN 4, HIS 4, LEU 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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