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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	CHEMBL1083053
Molecular formula	C30H35N3O4
IUPAC name	2-[2-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Molecular weight	501.627
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.2
Synonyms	2-(2-(4-(2-hydroxy-3-(2-isopropylphenoxy)propyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione MolPort-003-060-132 AKOS016288026 2-(2-{4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazin-1-yl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione AC1NPYJZ SR-01000497200 BDBM50319002 2-[2-[4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione MCULE-6420968161 AKOS001661165 SR-01000497200-1 [ Show all ]
Inchi Key	ANJWGYQQGXYHGI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H35N3O4/c1-21(2)24-9-3-4-12-27(24)37-20-23(34)19-32-15-13-31(14-16-32)17-18-33-29(35)25-10-5-7-22-8-6-11-26(28(22)25)30(33)36/h3-12,21,23,34H,13-20H2,1-2H3
PubChem CID	5187268
ChEMBL	CHEMBL1083053
IUPHAR	N/A
BindingDB	50319002
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
9622	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
9624	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
9623	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

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