hypoxanthine   Click here for help

GtoPdb Ligand ID: 4555

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 74.43
Molecular weight 136.04
XLogP 1.44
No. Lipinski's rules broken 0
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Canonical SMILES O=c1nc[nH]c2c1[nH]cn2
Isomeric SMILES O=c1nc[nH]c2c1[nH]cn2
InChI InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
1. Yamamoto S, Inoue K, Murata T, Kamigaso S, Yasujima T, Maeda JY, Yoshida Y, Ohta KY, Yuasa H. (2010)
Identification and functional characterization of the first nucleobase transporter in mammals: implication in the species difference in the intestinal absorption mechanism of nucleobases and their analogs between higher primates and other mammals.
J Biol Chem, 285 (9): 6522-31. [PMID:20042597]
2. Yao SY, Ng AM, Cass CE, Baldwin SA, Young JD. (2011)
Nucleobase transport by human equilibrative nucleoside transporter 1 (hENT1).
J Biol Chem, 286 (37): 32552-62. [PMID:21795683]