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Ligand · J1V

J1V · N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide

J1V, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]cyclohexanecarboxamide (C21 H21 F3 N2 O3, 406.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
J1V
Formula
C21 H21 F3 N2 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

J1V in 2 structures; the first of them:

  • 6EAA · X-ray crystal structure of Pf-M1 in complex with inhibitor (6i) and catalytic zinc ion · J1V A1102 · binds LEU304, THR305, GLN317, GLU319, ALA320, ASN458, VAL459, GLY460 and 14 more
  • 6EE2 · X-ray crystal structure of Pf-M17 in complex with inhibitor 6i and regulatory zinc ion · J1V A703 · binds LYS374, ASP379, LYS386, GLY390, SER391, MET392, LEU395, MET396 and 17 more

Residues it binds most

GLY 13, LEU 13, ASP 12, ALA 13, MET 13, THR 13, LYS 12, PHE 12, SER 12, GLU 13 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • MG · Magnesium ion
  • CO3 · Carbonate ion
  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • 1PE · Pentaethylene glycol
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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