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Ligand · 42J

42J · 2-(3,4-dichlorophenyl)ethanamine

42J, 2-(3,4-dichlorophenyl)ethanamine (C8 H9 Cl2 N, 190.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
42J
Formula
C8 H9 Cl2 N
Class
ligand
Structures
6
PDB entries
4

Binding sites

42J in 6 structures; the first of them:

  • 4XPA · X-ray structure of Drosophila dopamine transporter bound to 3,4dichlorophenethylamine · 42J A703 · binds PHE43, ALA44, ASP46, ALA117, VAL120, ASP121, TYR124, PHE319 and 6 more
  • 7AT5 · Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with… · 42J A403 · binds GLN36, ASP37, TYR39, GLN40, LEU41, VAL67, ILE69, VAL101 and 3 more
  • 7AT9 · Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with… · 42J A501 · binds PHE122, LEU129, ILE134, TYR137, MET138, LEU141, PRO160, VAL163 and 4 more
  • 8QBU · Structure of protein kinase CK2 catalytic subunit (isoform CK2ALPHA'; CSNK2A2 gene… · 42J A404 · binds ASN119, PHE122, LEU129, ILE134, TYR137, MET138, LEU141, PRO160 and 5 more
  • 7AT5 · Structure of protein kinase CK2 catalytic subunit (CSNK2A1 gene product) in complex with… · 42J A403 · binds GLN36, ASP37, TYR39, VAL67, ILE69, VAL101, ASP103, PRO104 and 1 more
  • 7AT9 · Structure of protein kinase CK2 catalytic subunit (CSNK2A2 gene product) in complex with… · 42J A501 · binds ILE134, TYR137, MET138, LEU141, PRO160, VAL163, ILE165, MET222 and 1 more

Residues it binds most

ASP 7, ILE 9, LEU 8, VAL 8, MET 5, TYR 8, PRO 7, ALA 5, GLN 4, ASN 3 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • NA · Sodium ion
  • CL · Chloride ion
  • 4B0 · 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol
  • RXE · ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide
  • SO4 · Sulfate ion
  • 3NG · 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
  • CLR · Cholesterol
  • BGC · beta-D-glucopyranose
  • GLC · alpha-D-glucopyranose

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