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Ligand · TB9

TB9 · 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[cd]azulene-1-thione

TB9, 4-chloro-8-methyl-7-(3-methyl-but-2-enyl)-6,7,8,9-tetrahydro-2H-2,7,9A-triaza-benzo[cd]azulene-1-thione (C16 H20 Cl N3 S, 321.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
TB9
Formula
C16 H20 Cl N3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

TB9 in 4 structures; the first of them:

  • 1REV · HIV-1 reverse transcriptase · TB9 A999 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 1TVR · HIV-1 RT/9-cl tibo · TB9 A600 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, ILE180, TYR181 and 8 more
  • 1REV · HIV-1 reverse transcriptase · TB9 A999 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, TYR181, TYR188 and 8 more
  • 1TVR · HIV-1 RT/9-cl tibo · TB9 A600 · binds PRO95, LEU100, LYS101, LYS103, VAL106, VAL179, ILE180, TYR181 and 8 more

Residues it binds most

TYR 4, VAL 4, LEU 4, LYS 4, PRO 4, HIS 4, PHE 4, TRP 4, GLY 2, ILE 2 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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