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Ligand · 9IV

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

9IV, ~{N}-[4-(2-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine (C18 H13 Cl N4 O, 336.8 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å…

Component
9IV
Formula
C18 H13 Cl N4 O
Class
ligand
Structures
4
PDB entries
2

Binding sites

9IV in 4 structures; the first of them:

  • 7Q8V · Crystal structure of TTBK1 in complex with VNG2.73 (compound 42) · 9IV A402 · binds ILE40, GLY41, ILE48, ALA61, LYS63, CYS91, MET107, GLN108 and 7 more
  • 7Q8Y · Crystal structure of TTBK2 in complex with VNG2.73 (compound 42) · 9IV A303 · binds ILE27, GLY28, GLY29, ILE35, ALA48, LYS50, CYS78, MET94 and 8 more
  • 7Q8V · Crystal structure of TTBK1 in complex with VNG2.73 (compound 42) · 9IV A402 · binds ILE40, ALA61, LYS63, CYS91, MET107, GLN108, LEU109, GLN110 and 4 more
  • 7Q8Y · Crystal structure of TTBK2 in complex with VNG2.73 (compound 42) · 9IV A303 · binds ILE27, ILE35, ALA48, LYS50, CYS78, MET94, GLN95, LEU96 and 6 more

Residues it binds most

GLN 6, LEU 6, ILE 6, ALA 6, ASN 6, CYS 6, LYS 6, MET 6, SER 6, ASP 5 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion

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