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Ligand · 1WT

1WT · 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one

1WT, 11-ethyl-5-methyl-8-[2-(1-oxidanylquinolin-4-yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-one (C25 H24 N5 O3, 442.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
1WT
Formula
C25 H24 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

1WT in 2 structures; the first of them:

  • 4KV8 · Crystal structure of HIV RT in complex with BILR0355BS · 1WT A602 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, VAL106 and 12 more
  • 4KV8 · Crystal structure of HIV rt in complex with BILR0355BS · 1WT A602 · binds PRO95, LEU100, LYS101, LYS102, LYS103, LYS104, SER105, VAL106 and 12 more

Residues it binds most

LYS 2, PRO 2, TYR 2, VAL 2, LEU 2, GLY 2, HIS 2, PHE 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • FRU · beta-D-fructofuranose
  • GLC · alpha-D-glucopyranose
  • MLA · Malonic acid

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