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Ligand

NameCHEMBL516056
Molecular formulaC28H44N2O8S
IUPAC nameacetic acid;3-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]-N-methylbenzenesulfonamide
Molecular weight568.726
Hydrogen bond acceptor10
Hydrogen bond donor6
XlogPNone
SynonymsSCHEMBL4801196
Inchi KeyABPYSEKSOMBXAZ-SNYZSRNZSA-N
Inchi IDInChI=1S/C26H40N2O6S.C2H4O2/c1-27-35(32,33)24-11-8-10-21(17-24)9-4-7-16-34-15-6-3-2-5-14-28-19-26(31)22-12-13-25(30)23(18-22)20-29;1-2(3)4/h8,10-13,17-18,26-31H,2-7,9,14-16,19-20H2,1H3;1H3,(H,3,4)/t26-;/m0./s1
PubChem CID42625514
ChEMBLCHEMBL516056
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
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
1072Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
1070Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
1071Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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