SB-633825   Click here for help

GtoPdb Ligand ID: 8642

PDB Ligand
Compound class: Synthetic organic
Comment: SB-633825 is a novel inhibitor of human serine/threonine kinase 10 (STK10). The crystal structure of SB-633825-bound STK10 has been deposited to the RSCB Protein Data Bank by the Structural Genomics Consortium (SGC- link here).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 82.46
Molecular weight 483.16
XLogP 6.32
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1
Isomeric SMILES COc1ccc2c(c1)ccc(c2)c1c(nc(n1C)c1ccc(cc1C)S(=O)(=O)C)c1ccncc1
InChI InChI=1S/C28H25N3O3S/c1-18-15-24(35(4,32)33)9-10-25(18)28-30-26(19-11-13-29-14-12-19)27(31(28)2)22-6-5-21-17-23(34-3)8-7-20(21)16-22/h5-17H,1-4H3
InChI Key ZDSNJSQTPLXCSG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[5-(6-methoxynaphthalen-2-yl)-1-methyl-2-(2-methyl-4-methylsulfonylphenyl)imidazol-4-yl]pyridine
Database Links Click here for help
BindingDB Ligand 50221358
ChEMBL Ligand CHEMBL237571
GtoPdb PubChem SID 252166842
PubChem CID 44433173
RCSB PDB Ligand R09
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