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Ligand · 75D

75D · 2,4,6-tri(propan-2-yl)benzenesulfonic acid

75D, 2,4,6-tri(propan-2-yl)benzenesulfonic acid (C15 H24 O3 S, 284.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
75D
Formula
C15 H24 O3 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

75D in 3 structures; the first of them:

  • 4NNS · Crystal structure of FABP4 in complex with novel inhibitor · 75D A201 · binds PHE16, TYR19, MET20, VAL25, ALA33, ALA36, PRO38, SER53 and 9 more
  • 7G11 · Crystal Structure of human FABP4 in complex with 2,4,6-triisopropylbenzenesulfonic acid · 75D A203 · binds PHE16, TYR19, MET20, VAL25, ALA33, ALA36, PRO38, SER53 and 9 more
  • 4NNS · Crystal structure of FABP4 in complex with novel inhibitor · 75D A201 · binds PHE16, TYR19, MET20, VAL25, ALA33, ALA36, PRO38, SER53 and 9 more

Residues it binds most

ALA 3, ARG 3, PHE 3, TYR 3, ASP 3, CYS 3, ILE 3, MET 3, PRO 3, SER 3 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion
  • FMT · Formic acid

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