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Ligand · 8S1

8S1 · 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile

8S1, 5-amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile (C10 H7 Cl N4, 218.6 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 binds most…

Component
8S1
Formula
C10 H7 Cl N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

8S1 in 2 structures; the first of them:

  • 5PNY · PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10174a · 8S1 B204 · binds ARG31, LEU32, LEU35, LYS90, LEU143, GLU144, GLU145
  • 5PNY · Pandda analysis group deposition -- crystal structure of BRD1 in complex with N10174A · 8S1 B204 · binds ARG31, LEU32, LEU35, LYS90, LEU143, GLU144, GLU145

Residues it binds most

LEU 2, GLU 2, ARG 2, LYS 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • EDO · 1,2-ethanediol

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