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Ligand

NameCHEMBL475389
Molecular formulaC25H38N2O6S
IUPAC name4-[4-[6-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]hexoxy]butyl]benzenesulfonamide
Molecular weight494.647
Hydrogen bond acceptor8
Hydrogen bond donor5
XlogP2.5
SynonymsCHEMBL1186722
BDBM50413484
SCHEMBL4805104
Inchi KeyAEALFDTWOAFNEO-VWLOTQADSA-N
Inchi IDInChI=1S/C25H38N2O6S/c26-34(31,32)23-11-8-20(9-12-23)7-3-6-16-33-15-5-2-1-4-14-27-18-25(30)21-10-13-24(29)22(17-21)19-28/h8-13,17,25,27-30H,1-7,14-16,18-19H2,(H2,26,31,32)/t25-/m0/s1
PubChem CID42625513
ChEMBLN/A
IUPHARN/A
BindingDB50413484
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3277Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
3278Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
3276Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408

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