Ligand · 882
882 · (3R,5R)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1H-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid
882, (3R,5R)-7-[5-(anilinocarbonyl)-3,4-bis(4-fluorophenyl)-1-isopropyl-1H-pyrrol-2-yl]-3,5-dihydroxyheptanoic acid (C33 H34 F2 N2 O5, 576.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…
- Component
- 882
- Formula
- C33 H34 F2 N2 O5
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
882 in 4 structures; the first of them:
- 2Q1L · Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors · 882 A876 · binds GLU559, GLY560, CYS561, LEU562, ALA564, SER565, ARG568, LYS735 and 19 more
- 3CD7 · Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors · 882 A1 · binds GLU559, GLY560, CYS561, LEU562, ALA564, SER565, ARG568, LYS735 and 19 more
- 2Q1L · Design and synthesis of pyrrole-based, hepatoselective hmg-CoA reductase inhibitors · 882 A876 · binds GLU559, GLY560, CYS561, LEU562, ALA564, SER565, ARG568, LYS735 and 19 more
- 3CD7 · Thermodynamic and structure guided design of statin hmg-CoA reductase inhibitors · 882 A1 · binds GLU559, GLY560, CYS561, LEU562, ALA564, SER565, ARG568, LYS735 and 19 more
Residues it binds most
SER 16, ALA 16, LEU 16, LYS 16, ARG 16, ASN 16, CYS 16, GLY 16, HIS 16, ASP 16 (residue and the binding sites it lines).
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