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Ligand · JO1

JO1 · 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide

JO1, 1-methyl-N-[(thiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide (C10 H11 N3 O S, 221.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
JO1
Formula
C10 H11 N3 O S
Class
ligand
Structures
3
PDB entries
3

Binding sites

JO1 in 3 structures; the first of them:

  • 5QFY · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JO1 A401 · binds LYS41, ASN42, ASN44, LEU88
  • 5QR3 · Pandda analysis group deposition -- crystal structure of human ALAS2A in complex with… · JO1 A602 · binds PRO274, LYS320, MET142, PHE143
  • 5RWP · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · JO1 A901 · binds LYS477, THR478, VAL479, GLU498, ILE501, ILE504

Residues it binds most

LYS 3, ASN 1, ILE 1, GLU 1, LEU 1, MET 1, PHE 1, PRO 1, THR 1, VAL 1 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • DMS · Dimethyl sulfoxide
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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