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.
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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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
InChI Key WWOOWAHTEXIWBO-QFRSUPTLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[(R)-hydroxy(phenyl)methyl]oxolane-3,4-diol
Database Links Click here for help
GtoPdb PubChem SID 336446913
PubChem CID 122669401
RCSB PDB Ligand F5J
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