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Ligand · X3I

X3I · (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name)

X3I, (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name) (C28 H43 F O2, 430.6 g/mol), in the MolNFT structures on…

Component
X3I
Formula
C28 H43 F O2
Class
ligand
Structures
1
PDB entries
1

Binding sites

X3I in 1 structure; the first of them:

  • 8EWT · Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe · X3I A401 · binds CYS2, ARG18, LEU20, ASP21, VAL22, TYR26, ILE58, SER65 and 13 more

Residues it binds most

ALA 2, LEU 2, TYR 2, ASN 2, ILE 2, PHE 2, VAL 2, ARG 2, ASP 2, CYS 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion

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