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Ligand · 3C8

3C8 · 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine

3C8, 6-[(3S)-3-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine (C16 H19 N7, 309.4 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
3C8
Formula
C16 H19 N7
Class
ligand
Structures
4
PDB entries
2

Binding sites

3C8 in 4 structures; the first of them:

  • 4U41 · MAP4K4 Bound to inhibitor compound 1 · 3C8 A401 · binds VAL31, TYR36, VAL39, ALA52, ILE53, LYS54, LEU103, MET105 and 6 more
  • 4U42 · MAP4K4 T181E Mutant Bound to inhibitor compound 1 · 3C8 A402 · binds VAL31, TYR36, VAL39, ALA52, ILE53, LYS54, LEU73, ALA83 and 8 more
  • 4U41 · MAP4K4 bound to inhibitor compound 1 · 3C8 A401 · binds VAL31, TYR36, VAL39, ALA52, ILE53, LYS54, LEU103, MET105 and 6 more
  • 4U42 · MAP4K4 T181E mutant bound to inhibitor compound 1 · 3C8 A402 · binds VAL31, TYR36, VAL39, ALA52, ILE53, LYS54, LEU73, ALA83 and 8 more

Residues it binds most

VAL 6, LEU 6, ALA 6, ASP 6, CYS 6, GLU 6, ILE 6, LYS 6, MET 6, PHE 6 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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