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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	CHEMBL54266
Molecular formula	C23H32N2O4S
IUPAC name	N-[3-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]propyl]-4-methylbenzenesulfonamide
Molecular weight	432.579
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.3
Synonyms	CHEMBL280586 5-METHOXY-3-{N-PROPYL-N-[3-(4-TOLUENESULFONYLAMINO)PROPYL]AMINO}CHROMAN SCHEMBL9305461 BDBM50036847 5-Methoxy-3-{N-propyl-N-(3-(4-toluenesulfonylamino)propyl]amino}chroman 5-Methoxy-3-{N-Propyl-N-[3-(4-Toluenesulfonylamino) -Propyl]Amino}Chroman N-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propyl}-4-methyl-benzenesulfonamide; compound with oxalic acid AQJAKCNEOWYUTG-UHFFFAOYSA-N [ Show all ]
Inchi Key	AQJAKCNEOWYUTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H32N2O4S/c1-4-14-25(19-16-21-22(28-3)7-5-8-23(21)29-17-19)15-6-13-24-30(26,27)20-11-9-18(2)10-12-20/h5,7-12,19,24H,4,6,13-17H2,1-3H3
PubChem CID	9980269
ChEMBL	CHEMBL280586
IUPHAR	N/A
BindingDB	50036847
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
11807	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
11809	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
11812	5-hydroxytryptamine receptor 2A	Q75Z89	HTR2A	Bos taurus (Bovine)	470
11806	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
11808	Alpha-2A adrenergic receptor	Q28838	ADRA2A	Bos taurus (Bovine)	452
11811	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
11810	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444

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