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Ligand · RDT

RDT · (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide

RDT, (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide (C12 H18 N2 O4 S, 286.4 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
RDT
Formula
C12 H18 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

RDT in 2 structures; the first of them:

  • 3PO6 · Crystal structure of human carbonic anhydrase II with… · RDT A263 · binds HIS3, HIS4, TRP5, HIS10, ASN11, HIS15, TRP16, LYS18 and 2 more
  • 3PO6 · Crystal structure of human carbonic anhydrase II with 6,7-dimethoxy-1… · RDT A263 · binds HIS3, HIS4, TRP5, HIS10, ASN11, HIS15, TRP16, LYS18 and 2 more

Residues it binds most

HIS 2, TRP 2, ASN 2, ASP 2, LYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • DT9 · (1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
  • ZN · Zinc ion
  • ACT · Acetate ion
  • GOL · Glycerol

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