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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	SB-258585
Molecular formula	C18H22IN3O3S
IUPAC name	4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
Molecular weight	487.356
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzene-1-sulfonamide AC1MN2NM GTPL3232 Tocris-1961 BRD-K80639402-003-01-1 SB 258585 4-iodo-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide CHEMBL60264 SB258585 BDBM86428 NCGC00025328-01 ZINC3923836 4-iodo-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide CHEBI:93418 SB-258,585 D0L7PA SCHEMBL678180 Benzenesulfonamide, 4-iodo-N-(4-methoxy-3-(4-methyl-1-piperazinyl)phenyl)- NCGC00025328-02 [ Show all ]
Inchi Key	BDHMSYNBSBZCAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3
PubChem CID	3248571
ChEMBL	CHEMBL60264
IUPHAR	3232
BindingDB	86428
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
20939	5-hydroxytryptamine receptor 4	Q13639	HTR4	Homo sapiens (Human)	388
20935	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
20936	5-hydroxytryptamine receptor 6	Q9R1C8	Htr6	Mus musculus (Mouse)	440
20937	5-hydroxytryptamine receptor 6	P31388	Htr6	Rattus norvegicus (Rat)	436
20938	5-hydroxytryptamine receptor 7	P34969	HTR7	Homo sapiens (Human)	479

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