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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	CHEMBL551272
Molecular formula	C28H34N2O6S
IUPAC name	4-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl]-N-methylsulfonyl-2-propan-2-yloxybenzamide
Molecular weight	526.648
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.9
Synonyms	BDBM50296957 4''-(2-((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)-3-isopropoxy-N-(methylsulfonyl)biphenyl-4-carboxamide
Inchi Key	RORJDCFUMCDAJV-PPHZAIPVSA-N
Inchi ID	InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-23(11-14-25(26)28(33)30-37(4,34)35)21-7-5-20(6-8-21)15-16-29-19(3)27(32)22-9-12-24(31)13-10-22/h5-14,17-19,27,29,31-32H,15-16H2,1-4H3,(H,30,33)/t19-,27-/m0/s1
PubChem CID	45101537
ChEMBL	CHEMBL551272
IUPHAR	N/A
BindingDB	50296957
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
301439	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
301438	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
301440	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
301441	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405

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