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Ligand · RQE

RQE · ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine

RQE, ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine (C21 H22 N10 O, 430.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues…

Component
RQE
Formula
C21 H22 N10 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

RQE in 1 structure; the first of them:

  • 8BU6 · Structure of DDB1 bound to DS55-engaged CDK12-cyclin K · RQE H1101 · binds ASN907, ILE909, ARG928, ARG947, ILE733, GLY734, GLU735, VAL741 and 13 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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