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Ligand · T6Q

T6Q · 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile

T6Q, 2-[[3-(4-ethanoyl-1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile (C23 H26 N8 O S, 462.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
T6Q
Formula
C23 H26 N8 O S
Class
ligand
Structures
4
PDB entries
2

Binding sites

T6Q in 4 structures; the first of them:

  • 4BCF · Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine… · T6Q A1327 · binds ILE25, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 9 more
  • 4BCO · Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine… · T6Q A1299 · binds GLU8, ILE10, GLU12, GLY13, THR14, VAL18, LYS20, ALA31 and 15 more
  • 4BCF · Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine… · T6Q A1327 · binds ILE25, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 9 more
  • 4BCO · Structure of CDK2 in complex with cyclin a and a 2-amino-4- heteroaryl-pyrimidine… · T6Q A1299 · binds GLU8, ILE10, GLU12, GLY13, THR14, VAL18, LYS20, ALA31 and 15 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion
  • SGM · Monothioglycerol

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