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Ligand · 87T

87T · N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide

87T, N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide (C20 H19 N5 O2, 361.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
87T
Formula
C20 H19 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

87T in 2 structures; the first of them:

  • 5AJY · Human PFKFB3 in complex with an indole inhibitor 4 · 87T A1448 · binds ARG45, GLY46, TYR49, ILE50, SER152, VAL159, ASN163, VAL214 and 8 more
  • 5AJY · Human PFKFB3 in complex with an indole inhibitor 4 · 87T A1448 · binds ARG45, GLY46, TYR49, ILE50, SER152, VAL159, ASN163, VAL214 and 8 more

Residues it binds most

VAL 2, GLY 2, ILE 2, ARG 2, ASN 2, HIS 2, LEU 2, MET 2, PHE 2, SER 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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