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Ligand · VQH

VQH · [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate

VQH, [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-methanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] sulfamate (C20 H31 N O4 S, 381.5 g/mol), in the MolNFT structures on…

Component
VQH
Formula
C20 H31 N O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

VQH in 2 structures; the first of them:

  • 8OKG · Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_13 · VQH A302 · binds HIS64, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, VAL130 and 9 more
  • 8OLK · Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI_13 · VQH A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE130, GLY131 and 9 more

Residues it binds most

HIS 2, VAL 2, LEU 2, PRO 2, THR 2, GLN 2, GLU 2, GLY 2, PHE 1, TRP 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol

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