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Ligand

NameCHEMBL1084656
Molecular formulaC26H40N2O9S
IUPAC nameacetic acid;3-[2-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]ethoxymethyl]benzenesulfonamide
Molecular weight556.671
Hydrogen bond acceptor11
Hydrogen bond donor6
XlogPNone
SynonymsSCHEMBL926096
Inchi KeyBDDTUXBLJQXXHC-JIDHJSLPSA-N
Inchi IDInChI=1S/C24H36N2O7S.C2H4O2/c25-34(30,31)22-7-5-6-19(14-22)18-33-13-12-32-11-4-2-1-3-10-26-16-24(29)20-8-9-23(28)21(15-20)17-27;1-2(3)4/h5-9,14-15,24,26-29H,1-4,10-13,16-18H2,(H2,25,30,31);1H3,(H,3,4)/t24-;/m0./s1
PubChem CID46833101
ChEMBLCHEMBL1084656
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20830Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
20832Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
20831Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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