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Ligand · CKG

CKG · 8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide

CKG, 8-(cyclohexa-2,5-dien-1-ylideneamino)-1-(piperidin-4-ylmethyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (C22 H25 N7 O, 403.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
CKG
Formula
C22 H25 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

CKG in 2 structures; the first of them:

  • 2XCH · Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor · CKG A1360 · binds LEU88, GLY89, VAL96, ALA109, LYS111, VAL143, LEU159, SER160 and 9 more
  • 2XCH · Crystal structure of PDK1 in complex with a pyrazoloquinazoline inhibitor · CKG A1360 · binds LEU88, GLY89, VAL96, ALA109, LYS111, VAL143, LEU159, SER160 and 9 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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