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Ligand · 66A

66A · 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

66A, 7-[cis-3-(azetidin-1-ylmethyl)cyclobutyl]-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (C27 H29 N5 O, 439.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
66A
Formula
C27 H29 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

66A in 2 structures; the first of them:

  • 5HZN · Structure of NVP-AEW541 in complex with IGF-1R kinase · 66A A1301 · binds LEU1002, GLY1003, GLN1004, GLY1005, SER1006, PHE1007, VAL1010, ALA1028 and 19 more
  • 5HZN · Structure of nvp-AEW541 in complex with igf-1R kinase · 66A A1301 · binds LEU1002, GLY1003, GLN1004, GLY1005, SER1006, PHE1007, VAL1010, ALA1028 and 19 more

Residues it binds most

GLY 16, MET 16, ASP 16, PHE 16, VAL 16, ALA 16, GLU 16, LEU 16, ARG 16, GLN 16 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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