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Ligand · 985

985 · (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid

985, (2E)-3-{3-[6-(4-methyl-1,4-diazepan-1-yl)pyrazin-2-yl]phenyl}prop-2-enoic acid (C19 H22 N4 O2, 338.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
985
Formula
C19 H22 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

985 in 4 structures; the first of them:

  • 2XJ2 · Protein kinase Pim-1 in complex with small molecule inhibitor · 985 A1001 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89, ILE104 and 10 more
  • 3F2A · Crystal structure of human Pim-1 in complex with DAPPA · 985 A1 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 9 more
  • 2XJ2 · Protein kinase pim-1 in complex with small molecule inhibitor · 985 A1001 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, GLU89, ILE104 and 10 more
  • 3F2A · Crystal structure of human pim-1 in complex with dappa · 985 A1 · binds LEU44, GLY45, PHE49, VAL52, ALA65, LYS67, ILE104, LEU120 and 9 more

Residues it binds most

LEU 4, GLU 4, ASP 4, ILE 4, VAL 4, ALA 4, ARG 4, ASN 4, GLY 4, LYS 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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