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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	MLS001096203
Molecular formula	C22H31N3O5S
IUPAC name	4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide
Molecular weight	449.566
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.6
Synonyms	4-[1-azepanyl(oxo)methyl]-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-3-pyrrolesulfonamide BDBM62158 ZINC9685336 cid_20945667 4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide MolPort-007-835-328 4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide MCULE-7354718042 4-(azepane-1-carbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethylpyrrole-3-sulfonamide SMR000630930 AKOS002039165 CHEMBL1300997 4-(azepan-1-ylcarbonyl)-N-(2,5-dimethoxyphenyl)-1,2,5-trimethyl-pyrrole-3-sulfonamide [ Show all ]
Inchi Key	CSJDSJQKLZFJQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N3O5S/c1-15-20(22(26)25-12-8-6-7-9-13-25)21(16(2)24(15)3)31(27,28)23-18-14-17(29-4)10-11-19(18)30-5/h10-11,14,23H,6-9,12-13H2,1-5H3
PubChem CID	20945667
ChEMBL	CHEMBL1300997
IUPHAR	N/A
BindingDB	62158
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
49506	Melanin-concentrating hormone receptor 1	Q99705	MCHR1	Homo sapiens (Human)	422
49507	Neuropeptides B/W receptor type 1	P48145	NPBWR1	Homo sapiens (Human)	328

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