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Ligand · JH7

JH7 · 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one

JH7, 1-methyl-5-(phenylamino)-1,2-dihydro-3H-pyrazol-3-one (C10 H11 N3 O, 189.2 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, the residues it binds…

Component
JH7
Formula
C10 H11 N3 O
Class
ligand
Structures
6
PDB entries
3

Binding sites

JH7 in 6 structures; the first of them:

  • 5QE5 · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · JH7 A401 · binds SER187, PRO188, ALA189, LEU192, ASN193, PHE196, GLU276, GLY277 and 1 more
  • 5QPW · PanDDA analysis group deposition -- Crystal Structure of T. cruzi FPPS in complex with… · JH7 A406 · binds PRO197, TYR200, LYS201, GLU244, VAL248, TRP276, THR280, ASP320 and 2 more
  • 7BD6 · Notum Fragment 863 · JH7 A508 · binds TRP128, TYR129, VAL187, SER232, ALA233, THR236, SER265, GLY266 and 6 more
  • 5QE5 · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JH7 A401 · binds SER187, PRO188, ALA189, LEU192, ASN193, PHE196, GLU276, PHE280
  • 5QPW · Pandda analysis group deposition -- crystal structure of T. cruzi fpps in complex with… · JH7 A406 · binds PRO197, TYR200, LYS201, GLU244, TRP276, ASP320, TYR324
  • 7BD6 · Notum fragment 863 · JH7 A508 · binds TRP128, TYR129, SER232, ALA233, THR236, SER265, PHE268, PRO287 and 3 more

Residues it binds most

PHE 6, ALA 6, PRO 8, SER 6, LEU 6, GLU 5, TYR 4, TRP 5, ASP 4, MET 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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