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Ligand · T3C

T3C · 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile

T3C, 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile (C21 H24 N8 S, 420.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
T3C
Formula
C21 H24 N8 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

T3C in 4 structures; the first of them:

  • 4BCG · Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine… · T3C A1328 · binds ILE25, THR29, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 9 more
  • 4BCP · Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine… · T3C A1299 · binds ILE10, GLY11, GLU12, GLY13, THR14, VAL18, ALA31, LYS33 and 14 more
  • 4BCG · Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine… · T3C A1328 · binds ILE25, THR29, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 9 more
  • 4BCP · Structure of CDK2 in complex with cyclin a and a 2-amino-4- heteroaryl-pyrimidine… · T3C A1299 · binds ILE10, GLY11, GLU12, GLY13, THR14, VAL18, ALA31, LYS33 and 14 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol
  • SGM · Monothioglycerol

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