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Ligand · 99V

99V · 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

99V, 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one (C27 H31 F N8 O2, 518.6 g/mol), in the MolNFT structures on GenesisL1…

Component
99V
Formula
C27 H31 F N8 O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

99V in 1 structure; the first of them:

  • 5VD7 · Crystal structure of human WEE1 kinase domain in complex with rac-IV- 098, a MK1775… · 99V A601 · binds ILE305, GLY306, PHE310, VAL313, ALA326, LYS328, VAL360, ASN376 and 7 more

Residues it binds most

ASN 1, GLY 1, PHE 1, VAL 1, ALA 1, ASP 1, CYS 1, GLU 1, ILE 1, LYS 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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