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Ligand

NameCHEMBL1957445
Molecular formulaC18H19N2O8PS
IUPAC name2-[(2R,3S,4R,5R)-5-[5-(1-benzothiophen-2-yl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]ethylphosphonic acid
Molecular weight454.39
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP-1.0
SynonymsBDBM50366149
Inchi KeyBMSFTRGDDXQGKF-BNGXUDDSSA-N
Inchi IDInChI=1S/C18H19N2O8PS/c21-14-11(5-6-29(25,26)27)28-17(15(14)22)20-8-10(16(23)19-18(20)24)13-7-9-3-1-2-4-12(9)30-13/h1-4,7-8,11,14-15,17,21-22H,5-6H2,(H,19,23,24)(H2,25,26,27)/t11-,14-,15-,17-/m1/s1
PubChem CID57400088
ChEMBLCHEMBL1957445
IUPHARN/A
BindingDB50366149
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
27723P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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