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Ligand · 9HI

9HI · (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid

9HI, (3R,5R)-7-{3-[(4-carbamoylphenyl)sulfamoyl]-4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-pyrrol-1-yl}-3,5-dihydroxyheptanoic acid (C33 H35 F2 N3 O7 S, 655.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
9HI
Formula
C33 H35 F2 N3 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9HI in 2 structures; the first of them:

  • 3CDB · Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors · 9HI A1 · binds GLU559, GLY560, CYS561, LEU562, SER565, LYS735, ALA751, HIS752 and 17 more
  • 3CDB · Thermodynamic and structure guided design of statin hmg-CoA reductase inhibitors · 9HI A1 · binds GLU559, GLY560, CYS561, LEU562, SER565, LYS735, ALA751, HIS752 and 17 more

Residues it binds most

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

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