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Ligand · AW2

AW2 · 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl) carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine

AW2, 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl) carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine (C28 H40 Br N7 O4, 618.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
AW2
Formula
C28 H40 Br N7 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

AW2 in 2 structures; the first of them:

  • 8FRJ · Structure of nsp14 N7-MethylTransferase domain fused with TELSAM bound to SGC0946 · AW2 A602 · binds ILE305, ILE332, GLY333, PRO335, ASP352, ALA353, GLN354, LEU366 and 10 more
  • 7RFL · Cama adenine methyltransferase complexed to cognate substrate DNA and inhibitor SGC0946 · AW2 A601 · binds LYS25, ALA26, TYR30, ILE61, SER62, GLY64, CYS65, ASP114 and 13 more

Residues it binds most

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

Found with

  • K · Potassium ion
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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