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Ligand · 45N

45N · N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine

45N, N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine (C13 H17 N O2, 219.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
45N
Formula
C13 H17 N O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

45N in 3 structures; the first of them:

  • 6GTU · 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6 · 45N A302 · binds GLN148, ALA149, ASN186, TRP192, GLU208, GLY209, LYS256, SER258
  • 6GTU · 17BETA-hydroxysteroid dehydrogenase 14 variant T205 in complex with fragment J6 · 45N A302 · binds GLN148, ALA149, ASN186, TRP192, GLU208, GLY209, LYS256, SER258
  • 7O6S · Crystal structure of a shortened ipgc variant in complex with N-(2H-1… · 45N B203 · binds PHE97, ASN102, TYR104, TYR93, ALA94, PHE97, PRO106, VAL107 and 4 more

Residues it binds most

ALA 3, ASN 3, GLU 3, GLN 2, GLY 2, LYS 2, PHE 1, SER 2, TRP 2, TYR 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • NAD · Nicotinamide-adenine-dinucleotide
  • PGE · Triethylene glycol
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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