GL1X · GenesisL1 explorer

Ligand · 2UI

2UI · (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8, 9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol

2UI, (3R,6R)-6-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-(2-methyl-2-oxidanyl-propyl)-2,3,4,5,6,7,8, 9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptane-1,3-diol (C30 H54 O3, 462.8 g/mol), in the MolNFT…

Component
2UI
Formula
C30 H54 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

2UI in 2 structures; the first of them:

  • 7OXZ · VDR complex with a side-chain hydroxylated derivative of lithocholic acid · 2UI A501 · binds TYR175, PHE182, LEU255, LEU258, LEU261, VAL262, SER265, ILE296 and 20 more
  • 7OXZ · Vdr complex with a side-chain hydroxylated derivative of lithocholic acid · 2UI A501 · binds TYR175, LEU255, LEU261, VAL262, SER265, MET300, ARG302, SER303 and 11 more

Residues it binds most

LEU 2, SER 2, TYR 2, VAL 2, HIS 2, ARG 2, CYS 2, ILE 1, MET 2, PHE 1 (residue and the binding sites it lines).

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