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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	CHEMBL172297
Molecular formula	C31H36N4O7S3
IUPAC name	N-[3-[6-[(4-tert-butylphenyl)sulfonylamino]-2-cyclopropyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxypropyl]thiophene-2-sulfonamide
Molecular weight	672.83
Hydrogen bond acceptor	12
Hydrogen bond donor	2
XlogP	6.1
Synonyms	4-tert.-butyl-N-[6-(3-(2-thiophenesulfonylamino)-propoxy)-5-(o-methoxyphenoxy)-2-cyclopropyl-4-pyrimidinyl]-benzene-sulfonamide p-tert.-butyl-N-[6-(3-(2-thiophene-sulfonylamino)-propoxy)-5-(o-methoxyphenoxy)-2-cyclopropyl-4-pyrimidinyl]benzene-sulfonamide BDBM50124419 L020497 SCHEMBL7196191 N-[3-[2-Cyclopropyl-5-(2-methoxyphenoxy)6-(4-tert-butylphenylsulfonylamino)-4-pyrimidinyloxy]propyl]thiophene-2-sulfonamide BCRJIIJVFJJYRD-UHFFFAOYSA-N Thiophene-2-sulfonic acid {3-[6-(4-tert-butyl-benzenesulfonylamino)-2-cyclopropyl-5-(2-methoxy-phenoxy)-pyrimidin-4-yloxy]-propyl}-amide [ Show all ]
Inchi Key	BCRJIIJVFJJYRD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H36N4O7S3/c1-31(2,3)22-14-16-23(17-15-22)44(36,37)35-29-27(42-25-10-6-5-9-24(25)40-4)30(34-28(33-29)21-12-13-21)41-19-8-18-32-45(38,39)26-11-7-20-43-26/h5-7,9-11,14-17,20-21,32H,8,12-13,18-19H2,1-4H3,(H,33,34,35)
PubChem CID	9831249
ChEMBL	CHEMBL172297
IUPHAR	N/A
BindingDB	50124419
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
20440	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
20441	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
20438	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427
20439	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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