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Ligand · 3CS

3CS · 3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid

3CS, 3-[3-(3,3-dimethylbutanoyl)-1-(4-iodobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropanoic acid (C36 H37 I N2 O4, 688.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3CS
Formula
C36 H37 I N2 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3CS in 2 structures; the first of them:

  • 2Q7R · Crystal structure of human FLAP with an iodinated analog of MK-591 · 3CS A503 · binds ASP62, ALA63, THR66, TYR112, PHE114, GLY115, LYS116, ILE119 and 11 more
  • 2Q7R · Crystal structure of human flap with an iodinated analog of mk-591 · 3CS A503 · binds ASP62, ALA63, THR66, TYR112, PHE114, GLY115, LYS116, ILE119 and 11 more

Residues it binds most

PHE 12, VAL 12, ASN 12, ALA 12, ILE 12, GLY 12, ASP 12, HIS 12, LEU 12, LYS 12 (residue and the binding sites it lines).

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