Ligand · I63
I63 · {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid
I63, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid (C32 H41 N O9, 583.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…
- Component
- I63
- Formula
- C32 H41 N O9
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
I63 in 4 structures; the first of them:
- 4DRK · EVALUATION OF SYNTHETIC FK506 ANALOGS AS LIGANDS FOR FKBP51 AND FKBP52: COMPLEX OF FKBP51… · I63 A201 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLN85, VAL86, ILE87 and 7 more
- 4LAY · Crystal Structure Analysis of FKBP52, Complex with I63 · I63 A301 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLU85, VAL86, ILE87 and 6 more
- 4DRK · Evaluation of synthetic FK506 analogs as ligands for FKBP51 and FKBP52: complex of FKBP51… · I63 A201 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLN85, VAL86, ILE87 and 7 more
- 4LAY · Crystal structure analysis of FKBP52, complex with I63 · I63 A301 · binds TYR57, PHE67, ASP68, PHE77, GLY84, GLU85, VAL86, ILE87 and 6 more
Residues it binds most
PHE 6, ILE 6, TYR 6, ALA 6, ASP 6, GLY 6, LYS 6, TRP 6, VAL 6, GLN 4 (residue and the binding sites it lines).
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