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Ligand · CK7

CK7 · [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine

CK7, [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine (C14 H12 N6 O2 S, 328.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
CK7
Formula
C14 H12 N6 O2 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

CK7 in 6 structures; the first of them:

  • 1PXO · HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR… · CK7 A500 · binds ILE10, ALA31, VAL64, PHE80, GLU81, PHE82, LEU83, GLN131 and 4 more
  • 2WEV · Truncation and Optimisation of Peptide Inhibitors of CDK2, Cyclin A Through Structure… · CK7 A1297 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80 and 10 more
  • 4B9D · Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor. · CK7 A1285 · binds ILE10, ALA18, VAL31, VAL64, MET80, ASP81, TYR82, CYS83 and 5 more
  • 1PXO · Human cyclin dependent kinase 2 complexed with the inhibitor… · CK7 A500 · binds ILE10, ALA31, VAL64, PHE80, GLU81, PHE82, LEU83, GLN131 and 4 more
  • 2WEV · Truncation and optimisation of peptide inhibitors of CDK2, cyclin a through structure… · CK7 A1297 · binds ILE10, GLY11, GLU12, GLY13, VAL18, ALA31, VAL64, PHE80 and 10 more
  • 4B9D · Crystal structure of human nima-related kinase 1 (NEK1) with inhibitor. · CK7 A1285 · binds ILE10, ALA18, VAL31, VAL64, MET80, ASP81, TYR82, CYS83 and 5 more

Residues it binds most

ASP 10, PHE 10, VAL 10, ALA 10, GLY 8, LYS 8, LEU 6, GLU 6, ILE 10, ASN 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • ACE · Acetyl group
  • NH2 · Amino group

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