GL1X · GenesisL1 explorer

Ligand · VQW

VQW · [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate

VQW, [(3~{R},5~{R},8~{R},9~{S},10~{S},13~{S},14~{S},15~{R})-10,13,15-trimethyl-17-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] sulfamate (C20 H33 N O4 S, 383.6 g/mol), in the MolNFT structures…

Component
VQW
Formula
C20 H33 N O4 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

VQW in 2 structures; the first of them:

  • 8OKP · Carbonic Anhydrase IX like mutant in Complex with Steriod_Sulphamoyl inhibitor AKI_33 · VQW A302 · binds HIS64, LEU91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121 and 10 more
  • 8OMP · Carbonic Anhydrase 2 in Complex with Steriod_Sulphamoyl AKI33 · VQW A302 · binds ASN62, ASN67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121 and 9 more

Residues it binds most

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

Found with

  • ZN · Zinc ion

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