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Ligand · 5S9

5S9 · ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide

5S9, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide (C11 H9 F2 N3 O, 237.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
5S9
Formula
C11 H9 F2 N3 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

5S9 in 2 structures; the first of them:

  • 5EVA · Crystal structure of the human BRPF1 bromodomain in complex with SEED16 · 5S9 A801 · binds ILE652, PHE653, VAL657, PRO658, GLU661, VAL662, TYR665, CYS704 and 3 more
  • 5EVA · Crystal structure of the human BRPF1 bromodomain in complex with SEED16 · 5S9 A801 · binds ILE652, PHE653, VAL657, PRO658, GLU661, VAL662, TYR665, CYS704 and 3 more

Residues it binds most

PHE 2, TYR 2, VAL 2, ASN 2, CYS 2, GLU 2, ILE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • NO3 · Nitrate ion

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