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Ligand · IOV

IOV · (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid

IOV, (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid (C17 H22 N2 O6 S, 382.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
IOV
Formula
C17 H22 N2 O6 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

IOV in 2 structures; the first of them:

  • 7FVV · Crystal Structure of human FABP4 in complex with… · IOV A201 · binds PHE16, TYR19, MET20, ALA33, ALA36, PRO38, SER53, GLU54 and 12 more
  • 7G1Q · Crystal Structure of human FABP5 in complex with… · IOV A204 · binds PHE19, TYR22, MET23, LEU32, MET35, GLY36, ALA39, PRO41 and 13 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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