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Ligand · 9IS

9IS · ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

9IS, ~{N}-[4-(4-methoxyphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine (C19 H16 N4 O2, 332.4 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, the…

Component
9IS
Formula
C19 H16 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

9IS in 2 structures; the first of them:

  • 7Q90 · Crystal structure of TTBK2 in complex with VNG1.63 (compound 32) · 9IS A302 · binds ILE27, GLY28, ILE35, ALA48, LYS50, CYS78, MET94, GLN95 and 7 more
  • 7Q90 · Crystal structure of TTBK2 in complex with VNG1.63 (compound 32) · 9IS A302 · binds ILE27, ILE35, ALA48, LYS50, CYS78, MET94, GLN95, LEU96 and 6 more

Residues it binds most

ALA 4, GLN 4, ILE 4, LEU 4, ASN 4, ASP 4, CYS 4, LYS 4, MET 4, SER 4 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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