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Ligand · T3E

T3E · 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide

T3E, 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide (C16 H15 N7 O2 S2, 401.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its…

Component
T3E
Formula
C16 H15 N7 O2 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

T3E in 4 structures; the first of them:

  • 4BCI · Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine… · T3E A1327 · binds ILE25, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 7 more
  • 4BCK · Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine… · T3E A1298 · binds ILE10, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80 and 11 more
  • 4BCI · Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine… · T3E A1327 · binds ILE25, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 7 more
  • 4BCK · Structure of CDK2 in complex with cyclin a and a 2-amino-4- heteroaryl-pyrimidine… · T3E A1298 · binds ILE10, GLU12, GLY13, VAL18, ALA31, LYS33, VAL64, PHE80 and 11 more

Residues it binds most

ASP 6, PHE 6, VAL 6, LEU 6, ALA 6, GLU 6, LYS 6, GLN 4, HIS 6, ILE 6 (residue and the binding sites it lines).

Found with

  • SGM · Monothioglycerol

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