GL1X · GenesisL1 explorer

Ligand · 98G

98G · 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

98G, 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one (C26 H30 N8 O2, 486.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
98G
Formula
C26 H30 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

98G in 2 structures; the first of them:

  • 5VD9 · Crystal structure of human WEE1 kinase domain in complex with RAC-IV-097, a MK1775… · 98G A601 · binds ILE305, GLY306, PHE310, VAL313, ALA326, VAL360, ASN376, GLU377 and 6 more
  • 5VD9 · Crystal structure of human WEE1 kinase domain in complex with rac-IV- 097, a MK1775… · 98G A601 · binds ILE305, GLY306, PHE310, VAL313, ALA326, VAL360, ASN376, GLU377 and 6 more

Residues it binds most

ASP 2, GLY 2, PHE 2, VAL 2, ALA 2, ASN 2, CYS 2, GLU 2, ILE 2, TYR 2 (residue and the binding sites it lines).

Found with

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

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