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Ligand · D42

D42 · 1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea

D42, 1-(3-(2,4-dimethylthiazol-5-yl)-4-oxo-2,4-dihydroindeno[1,2-c]pyrazol-5-yl)-3-(4-methylpiperazin-1-yl)urea (C21 H23 N7 O2 S, 437.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
D42
Formula
C21 H23 N7 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

D42 in 2 structures; the first of them:

  • 2B52 · Human cyclin dependent kinase 2 (CDK2) complexed with DPH-042562 · D42 A299 · binds ILE10, GLU12, GLY13, THR14, VAL18, ALA31, LYS33, VAL64 and 14 more
  • 2B52 · Human cyclin dependent kinase 2 (CDK2) complexed with dph- 042562 · D42 A299 · binds ILE10, GLU12, GLY13, THR14, VAL18, ALA31, LYS33, VAL64 and 14 more

Residues it binds most

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

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