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Ligand · 0TX

0TX · (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine

0TX, (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (C18 H26 Cl N3, 319.9 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
0TX
Formula
C18 H26 Cl N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

0TX in 2 structures; the first of them:

  • 7ER3 · Crystal structure of beta-lactoglobulin complexed with chloroquine · 0TX A201 · binds ALA37, PRO38, LEU39, LYS60, ILE84, ASP85, ALA86, LEU87 and 6 more
  • 7ER3 · Crystal structure of beta-lactoglobulin complexed with chloroquine · 0TX A201 · binds PRO38, LEU39, LYS60, ILE84, ASP85, ALA86, LEU87, ASN88 and 5 more

Residues it binds most

ASN 8, LEU 8, ALA 8, GLU 8, MET 8, ASP 7, SER 6, PRO 5, ILE 4, LYS 4 (residue and the binding sites it lines).

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