GL1X · GenesisL1 explorer

Ligand · 8V1

8V1 · (2S)-N-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

8V1, (2S)-N-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (C24 H25 N5 O2, 415.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
8V1
Formula
C24 H25 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

8V1 in 2 structures; the first of them:

  • 5AK0 · Human PFKFB3 in complex with an indole inhibitor 6 · 8V1 A1450 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 13 more
  • 5AK0 · Human PFKFB3 in complex with an indole inhibitor 6 · 8V1 A1450 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 13 more

Residues it binds most

VAL 2, ILE 2, ALA 2, ARG 2, GLY 2, SER 2, CYS 2, HIS 2, LEU 2, MET 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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