GL1X · GenesisL1 explorer

Ligand · U87

U87 · 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine

U87, 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine (C26 H34 Cl2 N8 O5, 609.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
U87
Formula
C26 H34 Cl2 N8 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

U87 in 2 structures; the first of them:

  • 6WS1 · Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with… · U87 B301 · binds TYR27, PHE30, TYR35, TYR40, LYS57, GLY79, SER80, GLY81 and 21 more
  • 6WS1 · Crystal structure of human phenylethanolamine N-methyltransferase (pnmt) in complex with… · U87 B301 · binds TYR27, PHE30, TYR35, TYR40, LYS57, GLY79, SER80, GLY81 and 21 more

Residues it binds most

TYR 2, ALA 2, ASP 2, PHE 2, VAL 2, GLY 2, ASN 2, CYS 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine
  • CD · Cadmium ion
  • K · Potassium ion
  • EDO · 1,2-ethanediol

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