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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	BDBM50078561
Molecular formula	C22H33N5O4S
IUPAC name	N-[3-[4-[4-(1-hydroxy-3-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-2-yl)butyl]piperazin-1-yl]phenyl]ethanesulfonamide
Molecular weight	463.597
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.4
Synonyms	Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide Ethanesulfonic acid (3-{4-[4-(1,3-dioxo-tetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-butyl]-piperazin-1-yl}-phenyl)-amide (EF-7412)
Inchi Key	OHRUJLACQQIEJZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3
PubChem CID	54150941
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50078561
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
241667	5-hydroxytryptamine receptor 1A	Q64264	Htr1a	Mus musculus (Mouse)	421
241668	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
241664	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
564867	5-hydroxytryptamine receptor 4	Q13639	HTR4	Homo sapiens (Human)	388
241665	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
241669	D(2) dopamine receptor	P61168	Drd2	Mus musculus (Mouse)	444

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