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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	CHEMBL471060
Molecular formula	C27H35Cl2N3O4S
IUPAC name	4-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]-N-methylsulfonyl-2-(propan-2-ylamino)benzamide;dihydrochloride
Molecular weight	568.554
Hydrogen bond acceptor	6
Hydrogen bond donor	6
XlogP	None
Synonyms	SCHEMBL4586438
Inchi Key	ICEOZRUPAFOPHY-ROPHLPQBSA-N
Inchi ID	InChI=1S/C27H33N3O4S.2ClH/c1-19(2)29-25-17-23(13-14-24(25)27(32)30-35(3,33)34)21-11-9-20(10-12-21)15-16-28-18-26(31)22-7-5-4-6-8-22;;/h4-14,17,19,26,28-29,31H,15-16,18H2,1-3H3,(H,30,32);2*1H/t26-;;/m0../s1
PubChem CID	42639962
ChEMBL	CHEMBL471060
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This 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

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
129711	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
129709	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
129708	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
129710	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405

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