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Ligand · FD9

FD9 · (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

FD9, (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (C26 H25 N5 O3, 455.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
FD9
Formula
C26 H25 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

FD9 in 2 structures; the first of them:

  • 5AJX · Human PFKFB3 in complex with an indole inhibitor 3 · FD9 A1448 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 10 more
  • 5AJX · Human PFKFB3 in complex with an indole inhibitor 3 · FD9 A1448 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 10 more

Residues it binds most

VAL 2, ALA 2, GLY 2, ILE 2, ARG 2, CYS 2, HIS 2, LEU 2, MET 2, PHE 2 (residue and the binding sites it lines).

Found with

  • F6P · 6-O-phosphono-beta-D-fructofuranose
  • PHS · Phosphonic acid
  • PO4 · Phosphate ion

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