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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	CHEMBL452134
Molecular formula	C30H39Cl2N3O5S
IUPAC name	4-[4-[2-[[(2R)-2-(4-aminophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxy-N-methylsulfonylbenzamide;dihydrochloride
Molecular weight	624.618
Hydrogen bond acceptor	7
Hydrogen bond donor	6
XlogP	None
Synonyms	SCHEMBL4586475
Inchi Key	GJXOXZRRXUCBCQ-ZXVJYWQYSA-N
Inchi ID	InChI=1S/C30H37N3O5S.2ClH/c1-39(36,37)33-30(35)27-16-13-24(19-29(27)38-26-5-3-2-4-6-26)22-9-7-21(8-10-22)17-18-32-20-28(34)23-11-14-25(31)15-12-23;;/h7-16,19,26,28,32,34H,2-6,17-18,20,31H2,1H3,(H,33,35);2*1H/t28-;;/m0../s1
PubChem CID	42639655
ChEMBL	CHEMBL452134
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
98368	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
98367	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
98369	Beta-3 adrenergic receptor	O02662	ADRB3	Canis lupus familiaris (Dog)	405

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