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Ligand · U99

U99 · methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate

U99, methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-9-(methoxymethoxy)-6a,10b-dimethyl-4,10-dioxododecahydro-2H-naphtho[2,1-c]pyran-7-carboxylate (C23 H30 O8, 434.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2…

Component
U99
Formula
C23 H30 O8
Class
ligand
Structures
2
PDB entries
2

Binding sites

U99 in 2 structures; the first of them:

  • 8DZP · momSalB bound Kappa Opioid Receptor in complex with Gi1 · U99 A401 · binds VAL108, GLN115, TRP124, CYS131, VAL134, LEU135, ASP138, TYR139 and 12 more
  • 8DZQ · momSalB bound Kappa Opioid Receptor in complex with GoA · U99 A401 · binds VAL108, GLN115, TRP124, VAL134, LEU135, ASP138, TYR139, MET142 and 8 more

Residues it binds most

ILE 2, TYR 2, VAL 2, TRP 2, CYS 2, ASP 2, GLN 2, LEU 2, MET 2, GLY 1 (residue and the binding sites it lines).

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