Ligand id: 2451

Name: NAD

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 19
Hydrogen bond donors 7
Rotatable bonds 11
Topological polar surface area 340.71
Molecular weight 663.11
XLogP -4.2
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

1. Hara Y, Wakamori M, Ishii M, Maeno E, Nishida M, Yoshida T, Yamada H, Shimizu S, Mori E, Kudoh J et al.. (2002)
LTRPC2 Ca2+-permeable channel activated by changes in redox status confers susceptibility to cell death.
Mol. Cell, 9 (1): 163-73. [PMID:11804595]
2. Heiner I, Eisfeld J, Halaszovich CR, Wehage E, Jüngling E, Zitt C, Lückhoff A. (2003)
Expression profile of the transient receptor potential (TRP) family in neutrophil granulocytes: evidence for currents through long TRP channel 2 induced by ADP-ribose and NAD.
Biochem. J., 371 (Pt 3): 1045-53. [PMID:12564954]
3. Moreschi I, Bruzzone S, Nicholas RA, Fruscione F, Sturla L, Benvenuto F, Usai C, Meis S, Kassack MU, Zocchi E et al.. (2006)
Extracellular NAD+ is an agonist of the human P2Y11 purinergic receptor in human granulocytes.
J. Biol. Chem., 281 (42): 31419-29. [PMID:16926152]
4. Sano Y, Inamura K, Miyake A, Mochizuki S, Yokoi H, Matsushime H, Furuichi K. (2001)
Immunocyte Ca2+ influx system mediated by LTRPC2.
Science, 293 (5533): 1327-30. [PMID:11509734]
5. Togashi K, Hara Y, Tominaga T, Higashi T, Konishi Y, Mori Y, Tominaga M. (2006)
TRPM2 activation by cyclic ADP-ribose at body temperature is involved in insulin secretion.
EMBO J., 25 (9): 1804-15. [PMID:16601673]