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Ligand

NameCHEMBL519835
Molecular formulaC10H15Cl2N2O13P3S
IUPAC name[dichloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
Molecular weight567.112
Hydrogen bond acceptor14
Hydrogen bond donor7
XlogP-4.4
SynonymsBDBM50271187
2-Thio-beta,gamma-dichloromethylene-UTP
[dichloro({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl})methyl]phosphonic acid
Inchi KeyBAIJAODZQNTGJN-XVFCMESISA-N
Inchi IDInChI=1S/C10H15Cl2N2O13P3S/c11-10(12,28(18,19)20)29(21,22)27-30(23,24)25-3-4-6(16)7(17)8(26-4)14-2-1-5(15)13-9(14)31/h1-2,4,6-8,16-17H,3H2,(H,21,22)(H,23,24)(H,13,15,31)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
PubChem CID44585987
ChEMBLCHEMBL519835
IUPHARN/A
BindingDB50271187
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.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18895P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377
18896P2Y purinoceptor 4P51582P2RY4Homo sapiens (Human)365
18897P2Y purinoceptor 6Q15077P2RY6Homo sapiens (Human)328

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