GL1X · GenesisL1 explorer

Ligand · 1KS

1KS · 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide

1KS, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide (C26 H24 F4 N6 O, 512.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1KS
Formula
C26 H24 F4 N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

1KS in 2 structures; the first of them:

  • 4JKV · Structure of the human smoothened 7TM receptor in complex with an antitumor agent · 1KS A601 · binds ASN219, LEU221, PHE222, MET230, ILE234, TRP281, MET301, ASP384 and 18 more
  • 4JKV · Structure of the human smoothened 7TM receptor in complex with an antitumor agent · 1KS A601 · binds ASN219, LEU221, PHE222, MET230, ILE234, TRP281, MET301, ASP384 and 18 more

Residues it binds most

LEU 4, PHE 4, ASN 4, ASP 4, GLU 4, ILE 4, MET 4, TRP 4, ARG 4, GLN 4 (residue and the binding sites it lines).

Found with

  • OLA · Oleic acid
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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