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Ligand · H9Z

H9Z · 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide

H9Z, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide (C29 H29 N7 O, 491.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
H9Z
Formula
C29 H29 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

H9Z in 2 structures; the first of them:

  • 6IBX · Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 5 · H9Z A501 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 15 more
  • 6IBX · Human PFKFB3 in complex with a N-aryl 6-aminoquinoxaline inhibitor 5 · H9Z A501 · binds ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159, ASN163 and 11 more

Residues it binds most

VAL 2, GLY 2, ILE 2, ALA 2, TYR 2, ARG 2, ASN 2, CYS 2, GLU 2, HIS 2 (residue and the binding sites it lines).

Found with

  • F6P · 6-O-phosphono-beta-D-fructofuranose
  • POP · Pyrophosphate 2-
  • DMS · Dimethyl sulfoxide
  • FLC · Citrate anion

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