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Ligand · 3EK

3EK · trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid

3EK, trans-4-[(3-{2-[(4-fluorobenzyl)carbamoyl]-6-methylpyridin-4-yl}-1H-1,2,4-triazol-1-yl)methyl]cyclohexanecarboxylic acid (C24 H26 F N5 O3, 451.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3EK
Formula
C24 H26 F N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3EK in 2 structures; the first of them:

  • 3KEK · Crystal Structure of Human MMP-13 complexed with a (pyridin-4-yl)-2H-tetrazole compound · 3EK A801 · binds LYS140, LEU185, SER209, ASN215, PHE217, LEU218, VAL219, HIS222 and 16 more
  • 3KEK · Crystal structure of human mmp-13 complexed with a (pyridin-4-yl)-2H- tetrazole compound · 3EK A801 · binds LYS140, LEU185, SER209, ASN215, PHE217, LEU218, VAL219, HIS222 and 16 more

Residues it binds most

LEU 4, PHE 4, HIS 4, LYS 4, PRO 4, SER 4, THR 4, TYR 4, GLY 4, ALA 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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