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Ligand

NameESMOLOL
Molecular formulaC16H25NO4
IUPAC namemethyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
Molecular weight295.379
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.9
SynonymsSR-01000763706-3
3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester
AB00698516_10
AQNDDEOPVVGCPG-UHFFFAOYSA-N
C06980
[ Show all ]
Inchi KeyAQNDDEOPVVGCPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3
PubChem CID59768
ChEMBLCHEMBL768
IUPHARN/A
BindingDB50404796
DrugBankDB00187

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
11931Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
11930Beta-2 adrenergic receptorQ8K4Z4Adrb2Cavia porcellus (Guinea pig)418

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