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Ligand

NameCHEMBL402633
Molecular formulaC24H28N6O5S
IUPAC name1-[9-[(2S,3aR,4R,6S,6aS)-6-(2-hydroxyethylsulfanylmethyl)-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]-3-ethylurea
Molecular weight512.585
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP1.4
SynonymsN/A
Inchi KeyAAVKOFURAFBOGG-IQNOQAOZSA-N
Inchi IDInChI=1S/C24H28N6O5S/c1-2-25-24(32)29-21-18-22(27-13-26-21)30(14-28-18)23-20-19(16(33-23)12-36-11-10-31)34-17(35-20)9-8-15-6-4-3-5-7-15/h3-9,13-14,16-17,19-20,23,31H,2,10-12H2,1H3,(H2,25,26,27,29,32)/b9-8+/t16-,17+,19-,20-,23-/m1/s1
PubChem CID44453031
ChEMBLCHEMBL402633
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
564P2Y purinoceptor 12Q9H244P2RY12Homo sapiens (Human)342

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