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Ligand

NameCHEMBL1957440
Molecular formulaC16H18FN2O8P
IUPAC name2-[(2R,3S,4R,5R)-5-[5-(4-fluorophenyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
Molecular weight416.298
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-1.9
SynonymsBDBM50366154
5-(4-Fluorophenyl)-5'-(phosphonomethyl)-5'-deoxyuridine
Inchi KeyBJYSQYZVTPFKAR-RGCMKSIDSA-N
Inchi IDInChI=1S/C16H18FN2O8P/c17-9-3-1-8(2-4-9)10-7-19(16(23)18-14(10)22)15-13(21)12(20)11(27-15)5-6-28(24,25)26/h1-4,7,11-13,15,20-21H,5-6H2,(H,18,22,23)(H2,24,25,26)/t11-,12-,13-,15-/m1/s1
PubChem CID57384078
ChEMBLCHEMBL1957440
IUPHARN/A
BindingDB50366154
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
25571P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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