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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	MLS000768518
Molecular formula	C22H25Br2N3O3
IUPAC name	4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-8,9-dibromo-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Molecular weight	539.268
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.1
Synonyms	HMS2800M19 488786-61-4 AKOS022074588 MLS003902545 CHEMBL1446321 STK286054 4-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-8,9-dibromo-4-aza-tricyclo[5.2.1.02,6]decane-3,5-dione MCULE-6066847801 AK-918/12348037 BDBM46805 MolPort-001-486-983 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5,6-dibromohexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione cid_5129939 AKOS003244771 SMR000431839 4-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-8,9-dibromo-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione [ Show all ]
Inchi Key	DSDQIJMWSKQXQQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25Br2N3O3/c23-19-14-10-15(20(19)24)18-17(14)21(29)27(22(18)30)12-16(28)26-8-6-25(7-9-26)11-13-4-2-1-3-5-13/h1-5,14-15,17-20H,6-12H2
PubChem CID	5129939
ChEMBL	CHEMBL1446321
IUPHAR	N/A
BindingDB	46805
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
67492	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
67491	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
67490	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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