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Ligand · G4R

G4R · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide

G4R, N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)prop-2-enamide (C27 H40 N6 O3, 496.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding…

Component
G4R
Formula
C27 H40 N6 O3
Class
ligand
Structures
2
PDB entries
2

Binding sites

G4R in 2 structures; the first of them:

  • 7T7L · Structure of human G9A set-domain (EHMT2) in complex with covalent inhibitor (compound 1) · G4R C1506 · binds TYR1067, ASP1074, ALA1077, ASP1078, ASP1083, SER1084, LEU1086, PHE1087 and 10 more
  • 7T7M · Structure of human glp set-domain (EHMT1) in complex with covalent inhibitor (compound 1) · G4R A1305 · binds TYR1155, ASP1162, ALA1165, ASP1166, ASP1171, SER1172, LEU1174, PHE1175 and 7 more

Residues it binds most

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

Found with

  • G5U · N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl) propanamide
  • ZN · Zinc ion

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