Ligand · 9KX
9KX · (2S)-2-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one
9KX, (2S)-2-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]oct-4,6-diene-3-one (C27 H38 O3, 410.6 g/mol), in the MolNFT structures on GenesisL1…
- Component
- 9KX
- Formula
- C27 H38 O3
- Class
- ligand
- Structures
- 2
- PDB entries
- 2
Binding sites
9KX in 2 structures; the first of them:
- 5ZWH · Covalent bond formation between histidine of vitamin D receptor (vdr) and a full agonist… · 9KX A501 · binds TYR143, TYR147, PHE150, LEU226, VAL230, SER233, ILE264, ILE267 and 10 more
- 5ZWI · Interaction between vitamin D receptor (vdr) and a ligand having a dienone group · 9KX A501 · binds TYR143, TYR147, LEU223, ALA227, LEU229, VAL230, SER233, ILE264 and 12 more
Residues it binds most
LEU 2, SER 2, TYR 2, HIS 2, ILE 2, VAL 2, ARG 2, CYS 2, TRP 2, ALA 1 (residue and the binding sites it lines).
Found with
- 9N9 · (E,2S)-2-[(1r,3as,4e,7ar)-7A-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl) cyclohexylidene]ethylidene]-2,3,3A,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one
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