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Ligand · LBD

LBD · N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine

LBD, N-(3-tert-butyl-1H-pyrazol-5-yl)-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine (C20 H27 N7, 365.5 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…

Component
LBD
Formula
C20 H27 N7
Class
ligand
Structures
2
PDB entries
1

Binding sites

LBD in 2 structures; the first of them:

  • 6NYV · Structure of spastin AAA domain in complex with a quinazoline-based inhibitor · LBD B802 · binds ASP484, ILE485, ALA486, GLY487, GLN488, GLY526, ASN527, GLY528 and 8 more
  • 6NYV · Structure of spastin aaa domain in complex with a quinazoline-based inhibitor · LBD B802 · binds ASP484, ILE485, ALA486, GLY487, GLN488, GLY526, ASN527, GLY528 and 8 more

Residues it binds most

GLY 2, LEU 2, SER 2, THR 2, ALA 2, ASN 2, ASP 2, GLN 2, ILE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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