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Ligand

NameMRS 2690
Molecular formulaC15H22N2Na2O16P2S
IUPAC namedisodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfidopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl] phosphate
Molecular weight626.326
Hydrogen bond acceptor17
Hydrogen bond donor7
XlogPNone
SynonymsJ-008696
Inchi KeyTYVFMVSNSGMZPA-QBNUFUENSA-L
Inchi IDInChI=1S/C15H24N2O16P2S.2Na/c18-3-5-8(20)10(22)12(24)14(31-5)32-35(27,28)33-34(25,26)29-4-6-9(21)11(23)13(30-6)17-2-1-7(19)16-15(17)36;;/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,25,26)(H,27,28)(H,16,19,36);;/q;2*+1/p-2/t5-,6-,8-,9-,10+,11-,12-,13-,14-;;/m1../s1
PubChem CID126456135
ChEMBLN/A
IUPHAR3337
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
554923P2Y purinoceptor 14Q15391P2RY14Homo sapiens (Human)338

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