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Ligand · HAT

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

HAT, 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide (C28 H27 N7 O, 477.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
HAT
Formula
C28 H27 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

HAT in 2 structures; the first of them:

  • 6IBY · Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 6 · HAT A501 · binds ALA44, ARG45, GLY46, TYR49, ILE50, SER152, CYS154, VAL159 and 15 more
  • 6IBY · Human PFKFB3 in complex with a N-aryl 6-aminoquinoxaline inhibitor 6 · HAT 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-
  • PO4 · Phosphate ion
  • BME · Beta-mercaptoethanol
  • FLC · Citrate anion

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