GL1X · GenesisL1 explorer

Ligand · I6W

I6W · Ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate

I6W, Ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate (C14 H12 N2 O3, 256.3 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
I6W
Formula
C14 H12 N2 O3
Class
ligand
Structures
9
PDB entries
9

Binding sites

I6W in 9 structures; the first of them:

  • 7TLS · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, ALA4, AIB5
  • 7TLU · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, SER4, AIB5
  • 7TM1 · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, MET4, AIB5, MET4, AIB7
  • 7TM2 · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, ALA4, AIB5
  • 7TMH · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, SER4, PHI5
  • 7TMI · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, ALA4, HIS5
  • 7TMJ · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, ALA4, AIB5
  • 7TMK · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, ALA4, AIB5, GLN8
  • 7TML · Porous framework formed by assembly of a bipyridyl-conjugated helical peptide · I6W A102 · binds LEU2, AIB3, ALA4, AIB5

Residues it binds most

AIB 12, LEU 12, ALA 7, MET 3, SER 2, GLN 1, HIS 1, PHI 1 (residue and the binding sites it lines).

Found with

  • I77 · 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide
  • CCN · Acetonitrile
  • I7E · tert-butylbenzene
  • PIH · iodobenzene
  • AG · Silver ion
  • NO3 · Nitrate ion

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