LLY-283   Click here for help

GtoPdb Ligand ID: 9527

PDB Ligand
Compound class: Synthetic organic
Comment: LLY-283 is a potent and selective SAM-competitive chemical probe for PRMT5 (protein arginine methyltransferase 5) developed in a collaboration between Eli Lilly and the Structural Genomics Consortium [1]. It is one of the chemical tools in the SGC's Epigenetic Probes Collection.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 3
Topological polar surface area 126.65
Molecular weight 342.13
XLogP 1.25
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OC(C1OC(C(C1O)O)n1ccc2c1ncnc2N)c1ccccc1
Isomeric SMILES O[C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc2c1ncnc2N)c1ccccc1
InChI InChI=1S/C17H18N4O4/c18-15-10-6-7-21(16(10)20-8-19-15)17-13(24)12(23)14(25-17)11(22)9-4-2-1-3-5-9/h1-8,11-14,17,22-24H,(H2,18,19,20)/t11-,12+,13-,14-,17-/m1/s1
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel