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Ligand · 0MC

0MC · {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid

0MC, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1S,2R)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid (C35 H45 N O10, 639.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
0MC
Formula
C35 H45 N O10
Class
ligand
Structures
4
PDB entries
2

Binding sites

0MC in 4 structures; the first of them:

  • 4DRM · EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51… · 0MC A201 · binds TYR57, PHE67, ASP68, PHE77, VAL78, PHE79, GLY84, GLN85 and 9 more
  • 4DRN · EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51… · 0MC A201 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLN85, VAL86, ILE87 and 6 more
  • 4DRM · Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51… · 0MC A201 · binds TYR57, PHE67, ASP68, PHE77, VAL78, PHE79, GLY84, GLN85 and 9 more
  • 4DRN · Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51… · 0MC A201 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLN85, VAL86, ILE87 and 6 more

Residues it binds most

PHE 4, ILE 4, TYR 4, VAL 4, ALA 4, ASP 4, GLN 4, GLY 4, SER 4, TRP 4 (residue and the binding sites it lines).

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