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Ligand · FO2

FO2 · 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one

FO2, 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one (C16 H18 N6 O, 310.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
FO2
Formula
C16 H18 N6 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

FO2 in 6 structures; the first of them:

  • 6H4Q · Crystal structure of human KDM4A in complex with compound 34a · FO2 A403 · binds TYR132, TYR177, PHE185, HIS188, GLU190, ASP191, ASN198, LYS206 and 3 more
  • 6H4U · Crystal structure of human KDM4A in complex with compound 34b · FO2 A403 · binds TYR132, ASP135, TYR177, PHE185, HIS188, GLU190, LYS206, TRP208 and 2 more
  • 6H50 · Crystal structure of human KDM5B in complex with compound 34a · FO2 A809 · binds VAL99, TRP486, TYR488, PHE496, HIS499, GLU501, ASN509, LYS517 and 2 more
  • 6H4Q · Crystal structure of human KDM4A in complex with compound 34A · FO2 A403 · binds TYR132, TYR177, PHE185, HIS188, GLU190, ASP191, ASN198, LYS206 and 3 more
  • 6H4U · Crystal structure of human KDM4A in complex with compound 34B · FO2 A403 · binds TYR132, ASP135, TYR177, PHE185, HIS188, GLU190, LYS206, TRP208 and 2 more
  • 6H50 · Crystal structure of human KDM5B in complex with compound 34A · FO2 A809 · binds VAL99, TRP486, TYR488, PHE496, HIS499, GLU501, ASN509, LYS517 and 2 more

Residues it binds most

TYR 18, HIS 18, LYS 18, GLU 18, TRP 18, PHE 18, ASP 14, ASN 12, GLY 10, VAL 6 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • CL · Chloride ion
  • GOL · Glycerol
  • MN · Manganese (II) ion
  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol

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