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Ligand · RJH

RJH · 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea

RJH, 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea (C21 H25 Cl N6 O4, 460.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
RJH
Formula
C21 H25 Cl N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

RJH in 2 structures; the first of them:

  • 7AK1 · Human MALT1(329-729) in complex with a chromane urea containing inhibitor · RJH A801 · binds VAL344, ALA345, LEU346, LYS379, VAL381, LEU383, LEU386, GLU390 and 12 more
  • 7AK1 · Human MALT1(329-729) in complex with a chromane urea containing inhibitor · RJH A801 · binds VAL344, ALA345, LEU346, LYS379, VAL381, LEU383, LEU386, GLU390 and 11 more

Residues it binds most

LEU 2, ALA 2, GLN 2, GLU 2, VAL 2, ASN 2, LYS 2, MET 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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