reactive blue-2

Ligand id: 1739

Name: reactive blue-2

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 18
Hydrogen bond donors 7
Rotatable bonds 9
Topological polar surface area 323.17
Molecular weight 773.01
XLogP 3.33
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Bogdanov YD, Wildman SS, Clements MP, King BF, Burnstock G. (1998)
Molecular cloning and characterization of rat P2Y4 nucleotide receptor.
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2. Brunschweiger A, Müller CE. (2006)
P2 receptors activated by uracil nucleotides--an update.
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Pharmacological characterization of the human P2Y11 receptor.
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4. Janssens R, Paindavoine P, Parmentier M, Boeynaems JM. (1999)
Human P2Y2 receptor polymorphism: identification and pharmacological characterization of two allelic variants.
Br. J. Pharmacol., 127 (3): 709-16. [PMID:10401562]
5. Marteau F, Le Poul E, Communi D, Communi D, Labouret C, Savi P, Boeynaems JM, Gonzalez NS. (2003)
Pharmacological characterization of the human P2Y13 receptor.
Mol. Pharmacol., 64 (1): 104-12. [PMID:12815166]
6. von Kügelgen I, Hoffmann K. (2016)
Pharmacology and structure of P2Y receptors.
Neuropharmacology, 104: 50-61. [PMID:26519900]