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Ligand · 1AK

1AK · 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile

1AK, 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile (C25 H16 Cl N7 O3 S, 530.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
1AK
Formula
C25 H16 Cl N7 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1AK in 2 structures; the first of them:

  • 4HYF · Structural basis and SAR for OD 270, a lead stage 1,2,4-triazole based specific… · 1AK A1203 · binds HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ALA1038, ILE1039, GLY1043 and 12 more
  • 4HYF · Structural basis and sar for od 270, a lead stage 1,2,4-triazole based specific… · 1AK A1203 · binds HIS1031, GLY1032, SER1033, PRO1034, PHE1035, ALA1038, ILE1039, GLY1043 and 12 more

Residues it binds most

GLY 6, ILE 6, TYR 6, ALA 6, HIS 6, PHE 6, ASP 6, MET 6, PRO 6, SER 6 (residue and the binding sites it lines).

Found with

  • NCA · Nicotinamide
  • ZN · Zinc ion

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