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Ligand · 79H

79H · 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

79H, 5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-7-oxidanylidene-6-propan-2-yl-6~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (C17 H21 N7 O, 339.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
79H
Formula
C17 H21 N7 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

79H in 2 structures; the first of them:

  • 5LWB · Crystal structure of human JARID1B in complex with S40650a · 79H A814 · binds GLN88, GLN96, THR97, ARG98, TYR425, GLY426, ALA427, TYR488 and 13 more
  • 5LWB · Crystal structure of human JARID1B in complex with S40650A · 79H A814 · binds GLN88, THR97, ARG98, TYR425, GLY426, ALA427, TYR488, VAL489 and 10 more

Residues it binds most

ASN 2, HIS 2, SER 2, TYR 2, VAL 2, GLN 2, ALA 2, ARG 2, CYS 2, GLY 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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