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Ligand · 8HI

8HI · (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid

8HI, (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid (C33 H36 F N3 O7 S, 637.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
8HI
Formula
C33 H36 F N3 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8HI in 2 structures; the first of them:

  • 3CDA · Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors · 8HI A2 · binds ARG590, MET657, SER661, VAL683, SER684, ASN686, CYS688, ASP690 and 18 more
  • 3CDA · Thermodynamic and structure guided design of statin hmg-CoA reductase inhibitors · 8HI A2 · binds ARG590, MET657, SER661, VAL683, SER684, ASN686, CYS688, ASP690 and 18 more

Residues it binds most

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

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