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Ligand · C5D

C5D · (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol

C5D, (1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol (C24 H32 F6 O3, 482.5 g/mol), in the MolNFT structures on GenesisL1: bound…

Component
C5D
Formula
C24 H32 F6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

C5D in 2 structures; the first of them:

  • 3DR1 · Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of… · C5D A500 · binds TYR175, TYR179, PHE182, LEU255, LEU258, ALA259, LEU261, VAL262 and 19 more
  • 3DR1 · Side-chain fluorine atoms of non-steroidal vitamin D3 analogs stabilize helix 12 of… · C5D A500 · binds TYR175, TYR179, PHE182, LEU255, LEU258, ALA259, LEU261, VAL262 and 19 more

Residues it binds most

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

Found with

  • MG · Magnesium ion

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