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Ligand · WKW

WKW · 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid

WKW, 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclohex-1-ene-1-carboxylic acid (C19 H21 N3 O4 S, 387.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every…

Component
WKW
Formula
C19 H21 N3 O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

WKW in 2 structures; the first of them:

  • 7G0O · Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with… · WKW A203 · binds PHE16, TYR19, MET20, LEU23, THR29, MET32, GLY33, ALA36 and 12 more
  • 7G1J · Crystal Structure of human FABP4 in complex with… · WKW A201 · binds PHE16, TYR19, MET20, VAL25, THR29, ALA33, ALA36, PRO38 and 11 more

Residues it binds most

ALA 2, ARG 2, TYR 2, MET 2, PHE 2, SER 2, VAL 2, ASP 2, CYS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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