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Ligand · T77

T77 · 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

T77, 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (C26 H29 N5 O S2, 491.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
T77
Formula
C26 H29 N5 O S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

T77 in 2 structures; the first of them:

  • 4EWH · Co-crystal structure of ACK1 with inhibitor · T77 B401 · binds LEU132, GLY133, ASP134, GLY135, VAL140, ALA156, LYS158, ILE190 and 14 more
  • 4EWH · Co-crystal structure of ACK1 with inhibitor · T77 B401 · binds LEU132, GLY133, ASP134, GLY135, VAL140, ALA156, LYS158, ILE190 and 14 more

Residues it binds most

GLY 4, LEU 4, ALA 4, ASP 4, LYS 4, ARG 4, ASN 4, GLU 4, ILE 4, PRO 4 (residue and the binding sites it lines).

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