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Ligand · PD9

PD9 · (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide

PD9, (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide (C14 H15 N3 O5, 305.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
PD9
Formula
C14 H15 N3 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

PD9 in 2 structures; the first of them:

  • 6AK4 · Crystal structure of human FTO in complex with small-molecule inhibitors · PD9 A602 · binds ARG96, TYR106, TYR108, LEU109, LEU203, ASN205, VAL228, HIS231 and 11 more
  • 6AK4 · Crystal structure of human fto in complex with small-molecule inhibitors · PD9 A602 · binds ARG96, TYR106, TYR108, LEU109, ASN205, VAL228, HIS231, ASP233 and 8 more

Residues it binds most

ARG 2, TYR 2, VAL 2, HIS 2, LEU 2, ASN 2, ASP 2, SER 2, THR 2, GLU 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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