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Ligand · CIQ

CIQ · 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

CIQ, 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine (C30 H47 N5 O2, 509.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with…

Component
CIQ
Formula
C30 H47 N5 O2
Class
ligand
Structures
2
PDB entries
2

Binding sites

CIQ in 2 structures; the first of them:

  • 3RJW · Crystal structure of histone lysine methyltransferase g9a with an inhibitor · CIQ A2000 · binds TYR1067, ASP1074, ALA1077, ASP1078, ARG1080, ASP1083, SER1084, TYR1085 and 10 more
  • 8BI6 · Crystal structure of human Choline Kinase A in complex with UNC0638 · CIQ A501 · binds ASP306, GLN308, TYR333, GLU349, TYR354, SER355, PHE361, TRP420 and 6 more

Residues it binds most

TYR 4, ASP 4, PHE 4, ARG 3, ILE 4, TRP 2, GLU 2, SER 3, ALA 2, CYS 2 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • MG · Magnesium ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • UNX · Unknown atom or ion
  • EDO · 1,2-ethanediol
  • IPA · Isopropyl alcohol
  • PEG · Di(hydroxyethyl)ether

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