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Ligand · 1WS

1WS · N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide

1WS, N-(3-aminopropyl)-8-[(3-fluorophenyl)amino]-2,4,5,7-tetrahydropyrazolo[3,4-e]indazole-3-carboxamide (C18 H20 F N7 O, 369.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
1WS
Formula
C18 H20 F N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1WS in 2 structures; the first of them:

  • 4BKZ · Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in… · 1WS A1335 · binds ILE17, VAL25, ALA38, LYS40, CYS70, LEU86, GLU87, TYR88 and 8 more
  • 4BKZ · Crystal structure of unphosphorylated maternal embryonic leucine zipper kinase (melk) in… · 1WS A1335 · binds ILE17, VAL25, ALA38, LYS40, CYS70, LEU86, GLU87, TYR88 and 8 more

Residues it binds most

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

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