GL1X · GenesisL1 explorer

Ligand · 05J

05J · 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one

05J, 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one (C29 H34 N8 O2, 526.6 g/mol), in the MolNFT structures on…

Component
05J
Formula
C29 H34 N8 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

05J in 2 structures; the first of them:

  • 7N3U · Crystal structure of human WEE1 kinase domain in complex with ZN-c3 · 05J A601 · binds GLU303, ILE305, GLY306, PHE310, VAL313, ALA326, ILE327, LYS328 and 13 more
  • 7N3U · Crystal structure of human WEE1 kinase domain in complex with zn-C3 · 05J A601 · binds ILE305, GLY306, PHE310, VAL313, ALA326, LYS328, VAL360, ASN376 and 7 more

Residues it binds most

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

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