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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	CHEMBL446806
Molecular formula	C29H36N4O5S
IUPAC name	4-[4-[2-[[(2R)-2-(4-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxy-N-methylsulfonylbenzamide
Molecular weight	552.69
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	3.7
Synonyms	BDBM50249662 4''-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethyl]amino}ethyl)-3-(cyclohexyloxy)-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride CHEMBL1186040
Inchi Key	KIBRFGHODPOHEM-MHZLTWQESA-N
Inchi ID	InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1
PubChem CID	44565931
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50249662
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
169692	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
460730	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
169691	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
169693	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405

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