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Ligand · 1N9

1N9 · 2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate

1N9, 2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate (C37 H46 N6 O7, 686.8 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1N9
Formula
C37 H46 N6 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

1N9 in 2 structures; the first of them:

  • 2OFU · x-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to Lck · 1N9 A1 · binds LEU251, GLY252, VAL259, ALA271, LYS273, GLU288, VAL301, ILE314 and 13 more
  • 2OFU · X-ray crystal structure of 2-aminopyrimidine carbamate 43 bound to lck · 1N9 A1 · binds LEU251, GLY252, VAL259, ALA271, LYS273, GLU288, VAL301, ILE314 and 13 more

Residues it binds most

ALA 2, GLU 2, ASP 2, GLY 2, LEU 2, VAL 2, ASN 2, ILE 2, LYS 2, MET 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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