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Ligand · 6VR

6VR · 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide

6VR, 2-~{tert}-butyl-4-(furan-2-ylmethylamino)-~{N}-(2-methylpropyl)-~{N}-[(3~{S})-piperidin-3-yl]pyrimidine-5-carboxamide (C23 H35 N5 O2, 413.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
6VR
Formula
C23 H35 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

6VR in 2 structures; the first of them:

  • 5KOQ · Discovery of TAK-272: A Novel, Potent and Orally Active Renin In-hibitor · 6VR A402 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, TYR83, SER84 and 13 more
  • 5KOQ · Discovery of tak-272: a novel, potent and orally active renin in- hibitor · 6VR A402 · binds THR18, GLN19, TYR20, VAL36, ASP38, GLY40, TYR83, SER84 and 13 more

Residues it binds most

THR 4, ASP 4, GLY 4, TYR 4, VAL 4, ALA 4, SER 4, GLN 4, LEU 4, PHE 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PEG · Di(hydroxyethyl)ether

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