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Ligand · HBY

HBY · (S)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1H)-thione

HBY, (S)-4-isopropoxycarbonyl-6-methoxy-3-methylthiomethyl-3,4-dihydroquinoxalin-2(1H)-thione (C15 H20 N2 O3 S2, 340.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues…

Component
HBY
Formula
C15 H20 N2 O3 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

HBY in 8 structures; the first of them:

  • 1BQM · HIV-1 RT/HBY 097 · HBY A557 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 9 more
  • 1BQN · Tyr 188 leu HIV-1 RT/HBY 097 · HBY A559 · binds PRO95, LEU100, LYS101, VAL106, VAL179, TYR181, LEU188, VAL189 and 9 more
  • 1HQU · Human immunodeficiency virus type 1 · HBY A561 · binds PRO95, LEU100, LYS101, ASN103, VAL106, VAL179, ILE180, TYR181 and 10 more
  • 2IC3 · Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with… · HBY A562 · binds LEU100, LYS101, ASN103, VAL106, VAL179, CYS181, TYR188, VAL189 and 6 more
  • 1BQM · HIV-1 RT/HBY 097 · HBY A557 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 9 more
  • 1BQN · Tyr 188 leu HIV-1 RT/HBY 097 · HBY A559 · binds PRO95, LEU100, LYS101, VAL106, VAL179, TYR181, LEU188, VAL189 and 9 more
  • 1HQU · Human immunodeficiency virus type 1 · HBY A561 · binds PRO95, LEU100, LYS101, ASN103, VAL106, VAL179, ILE180, TYR181 and 10 more
  • 2IC3 · Crystal structure of K103N/Y181C mutant HIV-1 reverse transcriptase (rt) in complex with… · HBY A562 · binds LEU100, LYS101, ASN103, VAL106, VAL179, CYS181, TYR188, VAL189 and 6 more

Residues it binds most

VAL 8, TYR 8, LEU 8, PRO 6, LYS 8, GLY 8, HIS 8, PHE 8, TRP 8, ASN 4 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion

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