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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	C29H38Cl2N4O5S
IUPAC name	4-[4-[2-[[(2R)-2-(4-aminopyridin-3-yl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxy-N-methylsulfonylbenzamide;dihydrochloride
Molecular weight	625.606
Hydrogen bond acceptor	8
Hydrogen bond donor	6
XlogP	None
Synonyms	N/A
Inchi Key	BOOVWZSHSWNDCQ-LPCSYZHESA-N
Inchi ID	InChI=1S/C29H36N4O5S.2ClH/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);2*1H/t27-;;/m0../s1
PubChem CID	44565930
ChEMBL	CHEMBL446806
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
28997	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
28996	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
28995	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405
28998	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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