Ligand · XZ9
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
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 (C25 H24 N8 O3, 484.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record…
- Component
- XZ9
- Formula
- C25 H24 N8 O3
- Class
- ligand
- Structures
- 1
- PDB entries
- 1
Binding sites
XZ9 in 1 structure; the first of them:
- 8ERA · RMC-5552 in complex with mTORC1 and FKBP12 · XZ9 A2601 · binds ILE2163, SER2165, GLN2167, LEU2185, LYS2187, GLU2190, LEU2192, ASP2195 and 8 more
Residues it binds most
ILE 1, ASP 1, LEU 1, GLN 1, GLU 1, GLY 1, LYS 1, MET 1, SER 1, TRP 1 (residue and the binding sites it lines).
Found with
- 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
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