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Ligand · 8M8

8M8 · 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile

8M8, 3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile (C9 H8 N4 S, 204.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
8M8
Formula
C9 H8 N4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

8M8 in 2 structures; the first of them:

  • 5N4N · Crystal structure of human Pim-1 kinase in complex with a consensus peptide and fragment… · 8M8 A401 · binds LEU44, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120, GLU121 and 7 more
  • 5N4N · Crystal structure of human pim-1 kinase in complex with a consensus peptide and fragment… · 8M8 A401 · binds LEU44, PHE49, ALA65, LEU120, GLU121, ARG122, VAL126, LEU174 and 1 more

Residues it binds most

LEU 2, GLU 2, ILE 2, VAL 2, ALA 2, ARG 2, PHE 2, ASP 1, LYS 1, PRO 1 (residue and the binding sites it lines).

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