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Ligand · 3HI

3HI · (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

3HI, (3R,5R)-7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid (C33 H35 F N2 O6, 574.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
3HI
Formula
C33 H35 F N2 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

3HI in 2 structures; the first of them:

  • 3CCT · Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors · 3HI B1 · binds GLU559, GLY560, CYS561, LEU562, SER565, ARG568, LYS735, ALA751 and 17 more
  • 3CCT · Thermodynamic and structure guided design of statin hmg-CoA reductase inhibitors · 3HI B1 · binds GLU559, GLY560, CYS561, LEU562, SER565, ARG568, LYS735, ALA751 and 17 more

Residues it binds most

SER 8, LEU 8, LYS 8, ALA 8, ARG 8, ASN 8, CYS 8, GLY 8, HIS 8, ASP 8 (residue and the binding sites it lines).

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