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Ligand · FLB

FLB · 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene

FLB, 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene (C12 H12 F6 O2, 302.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
FLB
Formula
C12 H12 F6 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

FLB in 4 structures; the first of them:

  • 3W6H · Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide · FLB A301 · binds VAL62, HIS67, ASN69, PHE91, GLN92, LEU131, ALA132, ALA135 and 7 more
  • 3W6I · Crystal structure of 19F probe-labeled hCAI · FLB A301 · binds VAL62, HIS67, ASN69, PHE91, GLN92, HIS94, ALA121, LEU131 and 9 more
  • 3W6H · Crystal structure of 19F probe-labeled hcai in complex with acetazolamide · FLB A301 · binds VAL62, HIS67, ASN69, PHE91, GLN92, LEU131, ALA132, ALA135 and 7 more
  • 3W6I · Crystal structure of 19F probe-labeled hcai · FLB A301 · binds VAL62, HIS67, ASN69, PHE91, GLN92, HIS94, ALA121, LEU131 and 9 more

Residues it binds most

ALA 8, LEU 8, HIS 8, TYR 8, ASN 8, GLN 8, PHE 8, PRO 8, VAL 8, SER 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • AZM · 5-acetamido-1,3,4-thiadiazole-2-sulfonamide

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