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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
BindingDB Ligand 50221358
ChEMBL Ligand CHEMBL237571
GtoPdb PubChem SID 252166842
PubChem CID 44433173
RCSB PDB Ligand R09
Search Google for chemical match using the InChIKey ZDSNJSQTPLXCSG-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey ZDSNJSQTPLXCSG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZDSNJSQTPLXCSG-UHFFFAOYSA-N