Ligand · XYU

XYU · (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone

XYU, (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,3…

Component: XYU
Formula: C51 H81 N O13
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

XYU in 2 structures; the first of them:

8ER6 · FKBP12-FRB in Complex with Compound 11 · XYU A201 · binds TYR27, PHE37, ASP38, PHE47, GLN54, GLU55, VAL56, ILE57 and 18 more
8ERA · RMC-5552 in complex with mTORC1 and FKBP12 · XYU B201 · binds LEU2031, GLU2032, SER2035, PHE2039, THR2098, TRP2101, ASP2102, TYR2105 and 15 more

Residues it binds most

PHE 4, ILE 4, TYR 4, ASP 4, GLU 4, TRP 4, ARG 3, GLN 4, HIS 4, LEU 4 (residue and the binding sites it lines).

Found with

XZ9 · 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one
EDO · 1,2-ethanediol

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