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Ligand

NameCHEMBL1162203
Molecular formulaC25H31FN6O23P4
IUPAC name[[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-[4-[(4-fluorophenyl)carbamoylamino]-2-oxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular weight926.435
Hydrogen bond acceptor24
Hydrogen bond donor11
XlogP-7.8
SynonymsBDBM50371605
Inchi KeyBOVGYNHHSAMXND-JNLDUZMVSA-N
Inchi IDInChI=1S/C25H31FN6O23P4/c26-11-1-3-12(4-2-11)27-23(38)28-15-5-7-31(24(39)29-15)21-19(36)17(34)13(51-21)9-49-56(41,42)53-58(45,46)55-59(47,48)54-57(43,44)50-10-14-18(35)20(37)22(52-14)32-8-6-16(33)30-25(32)40/h1-8,13-14,17-22,34-37H,9-10H2,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,30,33,40)(H2,27,28,29,38,39)/t13-,14+,17-,18+,19-,20+,21-,22+/m1/s1
PubChem CID44457439
ChEMBLCHEMBL1162203
IUPHARN/A
BindingDB50371605
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29164P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373
29163P2Y purinoceptor 2P41231P2RY2Homo sapiens (Human)377

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