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Ligand

Namealpha,beta-methylene-UDP
Molecular formulaC12H20N2O8P2S
IUPAC name[[(2S,3S,4R,5R)-3,4-dimethyl-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
Molecular weight414.306
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP-1.8
SynonymsD0Q5SV
GTPL6203
alpha.beta-methylene-2-thio-UDP
[({[(2S,3S,4R,5R)-3,4-dimethyl-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)methyl]phosphonic acid
Inchi KeyHGGLEWIKYOGGHB-YSSBGUOXSA-N
Inchi IDInChI=1S/C12H20N2O8P2S/c1-7-8(2)11(14-4-3-10(15)13-12(14)25)22-9(7)5-21-24(19,20)6-23(16,17)18/h3-4,7-9,11H,5-6H2,1-2H3,(H,19,20)(H,13,15,25)(H2,16,17,18)/t7-,8+,9+,11+/m0/s1
PubChem CID73755188
ChEMBLN/A
IUPHAR6203
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
553827P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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