GL1X · GenesisL1 explorer

Ligand · 25X

25X · 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane

25X, 1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane (C3 H5 B10 N2 O2 S, 241.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
25X
Formula
C3 H5 B10 N2 O2 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

25X in 4 structures; the first of them:

  • 4MDG · Closo Carborane Carbonic Anhydrase Inhibitor · 25X A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, SER197 and 5 more
  • 4Q78 · Structure-assisted design of carborane-based inhibitors of carbonic anhydrase · 25X A302 · binds ASN67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 5 more
  • 4MDG · Closo carborane carbonic anhydrase inhibitor · 25X A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, SER197 and 5 more
  • 4Q78 · Structure-assisted design of carborane-based inhibitors of carbonic anhydrase · 25X A302 · binds ASN67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 5 more

Residues it binds most

HIS 4, THR 4, GLN 4, GLU 4, LEU 4, PHE 4, SER 4, TRP 4, VAL 4, ASN 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • MBO · Mercuribenzoic acid

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