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Ligand

NameCHEMBL608217
Molecular formulaC16H18BN5O6
IUPAC name[3-[[9-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]boronic acid
Molecular weight387.159
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogPNone
SynonymsBDBM50367497
Inchi KeyRZZBKEJIVKIRHK-AARXTDBFSA-N
Inchi IDInChI=1S/C16H18BN5O6/c23-5-10-12(24)13(25)16(28-10)22-7-20-11-14(18-6-19-15(11)22)21-9-3-1-2-8(4-9)17(26)27/h1-4,6-7,10,12-13,16,23-27H,5H2,(H,18,19,21)/t10-,12-,13-,16?/m1/s1
PubChem CID46876961
ChEMBLCHEMBL608217
IUPHARN/A
BindingDB50367497
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
309265Adenosine receptor A1P49892ADORA1Gallus gallus (Chicken)324

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