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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	ESMOLOL
Molecular formula	C16H25NO4
IUPAC name	methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
Molecular weight	295.379
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.9
Synonyms	AC1Q5ZXA Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester CHEBI:88206 DTXSID4022995 HMS2090P06 Methyl 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionate NCGC00185766-02 (+-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate 81147-92-4 AN-36314 BRN 5287174 CTK8F9496 Esmolol (INN) LS-31121 Methyl 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzenepropanoate SL-8052 103598-03-4 AB00698516-07 AC-12058 ASL 8052-001 CC-27527 FT-0630886 methyl 3-[4-({2-hydroxy-3-[(1-methylethyl)amino]propyl}oxy)phenyl]propanoate MRF-0000253 3-[4-[2-Hydroxy-3-(isopropylamino)propoxy]phenyl]propionic Acid Methyl Ester AKOS015960734 Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester E1106 L001332 methyl 3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate NCGC00185766-05 (+/-)-esmolol 81161-17-3 (Hydrochloride) API0002603 C-18519 D03XTC Esmolol [INN:BAN] methyl 3-(4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)propanoate methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate SR-01000763706 147E924 AB00698516-09 AC1L1RWQ BDBM50404796 CE0048 DB00187 GTPL7178 methyl 3-[4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]propanoate NCGC00185766-01 (+-)-Esmolol AN-34130 Brevibloc (TN) CHEMBL768 LS-185019 methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate SCHEMBL3605 (+/-)-methyl p-(2-hydroxy-3-(isopropylamino)propoxy)hydrocinnamate 84057-94-3 AB00698516_10 AQNDDEOPVVGCPG-UHFFFAOYSA-N C06980 D07916 FT-0625711 methyl 3-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)propanoate methyl p-[2-hydroxy-3-(isopropylamino)propoxy]hydrocinnamate SR-01000763706-3 3-[4-(2-Hydroxy-3-isopropylamino-propoxy)-phenyl]-propionic acid methyl ester [ Show all ]
Inchi Key	AQNDDEOPVVGCPG-UHFFFAOYSA-N
Inchi ID	InChI=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 CID	59768
ChEMBL	CHEMBL768
IUPHAR	N/A
BindingDB	50404796
DrugBank	DB00187
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
11931	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
11930	Beta-2 adrenergic receptor	Q8K4Z4	Adrb2	Cavia porcellus (Guinea pig)	418

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