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Ligand

NameCHEMBL2113603
Molecular formulaC29H31N7O4
IUPAC name(2S,3S,4R,5R)-5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight541.612
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50453509
Inchi KeyANZDCOZQPXKIRO-APSVEGKFSA-N
Inchi IDInChI=1S/C29H31N7O4/c1-16-7-8-17(2)19(11-16)13-35-12-18(20-5-3-4-6-21(20)35)9-10-31-27-22-28(33-14-32-27)36(15-34-22)29-24(38)23(37)25(40-29)26(30)39/h3-8,11-12,14-15,23-25,29,37-38H,9-10,13H2,1-2H3,(H2,30,39)(H,31,32,33)/t23-,24+,25-,29+/m0/s1
PubChem CID10370084
ChEMBLCHEMBL2113603
IUPHARN/A
BindingDB50453509
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
10038Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326

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