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Ligand · MH4

MH4 · 1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-N-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

MH4, 1-methyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-N-[(2-methylpyridin-4-yl)methyl]-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (C29 H33 N9 O, 523.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
MH4
Formula
C29 H33 N9 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

MH4 in 2 structures; the first of them:

  • 2XCK · Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor · MH4 A1360 · binds LEU88, GLY89, GLU90, GLY91, SER94, THR95, THR96, ALA109 and 12 more
  • 2XCK · Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor · MH4 A1360 · binds LEU88, GLY89, GLU90, GLY91, SER94, THR95, THR96, ALA109 and 12 more

Residues it binds most

GLY 2, LEU 2, THR 2, ALA 2, GLU 2, LYS 2, SER 2, ASP 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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