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Ligand · XLK

XLK · (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name)

XLK, (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) (C25 H41 F O3, 408.6 g/mol), in the MolNFT structures on GenesisL1…

Component
XLK
Formula
C25 H41 F O3
Class
ligand
Structures
1
PDB entries
1

Binding sites

XLK in 1 structure; the first of them:

  • 8FAO · Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound · XLK H401 · binds CYS2, ARG16, LEU18, ASP19, TYR20, TYR24, GLN26, ALA56 and 12 more

Residues it binds most

LEU 8, TYR 8, SER 8, ALA 8, CYS 8, ASN 8, PRO 8, ARG 8, ASP 8, GLN 8 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion

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