purvalanol B

Ligand id: 7806

Name: purvalanol B

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 125.19
Molecular weight 432.17
XLogP 3.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid
Synonyms
NG-95 | NG95
Comments
Purvalanol B is a cyclin-dependent kinase (CDK) inhibitor [1].
Database Links
CAS Registry No. 212844-54-7
ChEMBL Ligand CHEMBL23254
GtoPdb PubChem SID 223366137
PubChem CID 448991
RCSB PDB Ligand PVB
Search Google for chemical match using the InChIKey ZKDXRFMOHZVXSG-HNNXBMFYSA-N
Search Google for chemicals with the same backbone ZKDXRFMOHZVXSG
Search UniChem for chemical match using the InChIKey ZKDXRFMOHZVXSG-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone ZKDXRFMOHZVXSG

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Tocris
Purvalanol B
Cat. No. 1581