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Ligand · 2WC

2WC · 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid

2WC, 3-[2-azanyl-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methyl-benzoic acid (C20 H23 N5 O3, 381.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
2WC
Formula
C20 H23 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2WC in 2 structures; the first of them:

  • 4CFU · Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2… · 2WC A1299 · binds ILE10, VAL18, ALA31, VAL64, PHE80, GLU81, PHE82, LEU83 and 9 more
  • 4CFU · Structure-based design of C8-substituted O6- cyclohexylmethoxyguanine CDK1 and 2… · 2WC A1299 · binds ILE10, VAL18, ALA31, VAL64, PHE80, GLU81, PHE82, LEU83 and 9 more

Residues it binds most

ASP 4, GLN 4, LEU 4, PHE 4, VAL 4, ALA 4, GLU 4, LYS 4, ASN 4, HIS 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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