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Ligand · CJM

CJM · 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl) methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol

CJM, 2-[(2S)-1-(6-{[(4,5-difluoro-1H-benzimidazol-2-yl) methyl]amino}-9-ethyl-9H-purin-2-yl)piperidin-2-yl]ethan-1-ol (C22 H26 F2 N8 O, 456.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
CJM
Formula
C22 H26 F2 N8 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

CJM in 2 structures; the first of them:

  • 6B3E · Crystal structure of human CDK12/CyclinK in complex with an inhibitor · CJM A1102 · binds ILE732, ILE733, GLY734, ALA754, VAL787, PHE813, GLU814, TYR815 and 10 more
  • 6B3E · Crystal structure of human CDK12/CYCLINK in complex with an inhibitor · CJM A1102 · binds ILE733, GLY734, ALA754, VAL787, GLU814, TYR815, MET816, ASP817 and 6 more

Residues it binds most

ASP 4, ALA 4, ILE 4, VAL 4, ASN 4, GLU 4, GLY 4, HIS 4, LEU 4, MET 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • EDO · 1,2-ethanediol

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