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Ligand · QBE

QBE · ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide

QBE, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)-3~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methyl-phenyl]propanamide (C20 H21 N7 O, 375.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
QBE
Formula
C20 H21 N7 O
Class
ligand
Structures
2
PDB entries
2

Binding sites

QBE in 2 structures; the first of them:

  • 6Z83 · CK2 alpha bound to chemical probe SGC-CK2-1 · QBE AAA406 · binds ARG47, GLY48, VAL53, VAL66, LYS68, ILE95, PHE113, GLU114 and 6 more
  • 8Q9S · Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene… · QBE A401 · binds LEU46, GLY47, ARG48, GLY49, SER52, VAL54, VAL67, LYS69 and 10 more

Residues it binds most

VAL 3, ILE 3, ASN 3, GLY 3, ASP 3, GLU 3, LYS 3, MET 3, PHE 3, ARG 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether

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