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Ligand · 2D5

2D5 · 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine

2D5, 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine (C23 H29 N7 O4 S, 499.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
2D5
Formula
C23 H29 N7 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

2D5 in 2 structures; the first of them:

  • 4MQ4 · Crystal Structure of hPNMT in Complex with bisubstrate inhibitor… · 2D5 A301 · binds VAL23, TYR27, PHE30, TYR35, ASN39, TYR40, ARG44, VAL53 and 20 more
  • 4MQ4 · Crystal structure of hpnmt in complex with bisubstrate inhibitor N-(3… · 2D5 A301 · binds VAL23, TYR27, PHE30, TYR35, ASN39, TYR40, ARG44, VAL53 and 20 more

Residues it binds most

VAL 4, TYR 4, ASP 4, PHE 4, ASN 4, GLY 4, ALA 4, ARG 4, CYS 4, GLU 4 (residue and the binding sites it lines).

Found with

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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