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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.
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Ligand

Name	Bosentan
Molecular formula	C27H29N5O6S
IUPAC name	4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Molecular weight	551.618
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	3.8
Synonyms	C27H29N5O6S D07538 EN002863 I06-1873 144096-EP2287165A2 N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide Ro 47-0203 4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-(2-methoxy-phenoxy)-[2,2']bipyrimidinyl-4-yl]-benzenesulfonamide SB17356 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidine]-4-yl]benzene-1-sulfonamide TL8001039 AC1L2XN2 XUL93R30K2 BCP9000445 CHEBI:51450 DB00559 GTPL3494 KS-5062 147536-97-8 p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide 4-(tert-butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide Ro-47-0203-029 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide SR-05000001532 A808658 Tracleer AKOS015852063 Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]- Bosentan [USAN:INN:BAN] CS-0381 DSSTox_RID_81776 HMS3715N05 MCULE-3074160312 PDSP2_001714 4-tert butyl-N-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidin-6-yl]benzenesulphonamide Ro-470203029 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide SR-05000001532-4 ABP001094 VA10428 B5118 CAS-147536-97-8 D0U4CE FT-0658809 J-008366 144096-EP2287166A2 NCGC00167440-01 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl)benzenesulfornamide Ro 47-0203/039 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2''-bipyrimidin-4-yl]benzenesulfonamide SC-19679 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]benzenesulfonamide Tox21_112444 ACN-048487 Z1541632805 BDBM50061101 DSSTox_CID_26627 HMS2090N14 L001086 174227-18-0 p-tert-Butyl-N-[6-(2-hydroxyethoxy) 4-(tert-Butyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide Ro-47-0203/029 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide SR-05000001532-1 AB0018010 Tracleer (TN) AM84442 bosentanum CTK4D4929 DTXSID7046627 HY-A0013 MolPort-003-845-300 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2''-bipyrimidin)-4-yl) benzenesulfornamide PubChem19119 4-tert-butyl-n-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide s4220 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide SW199648-3 AC-148 W-5165 BCP05202 CCG-221182 GJPICJJJRGTNOD-UHFFFAOYSA-N K86 144096-EP2292620A2 NCGC00167440-02 4-(1,1-dimethylethyl)-n-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide Ro-47-0203 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide SCHEMBL4218 Tox21_112444_1 Actelion ZINC1538857 Benzenesulfonamide, 4-(1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)- CHEMBL957 DSSTox_GSID_46627 HMS3652F15 LS-31532 212B550 PDSP1_001731 4-t-butyl-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl)benzenesulfonamide Ro-47-0203/039 4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(pyrimidin-2-yl)pyrimidin-4-yl]benzenesulfonamide SR-05000001532-2 AB01275536-01 UNII-XUL93R30K2 AN-16081 Bosentan (INN) [ Show all ]
Inchi Key	GJPICJJJRGTNOD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32)
PubChem CID	104865
ChEMBL	CHEMBL957
IUPHAR	3494
BindingDB	50061101
DrugBank	DB00559
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
98127	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
98129	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
98125	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426
98126	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427
98128	Endothelin-1 receptor	Q29010	EDNRA	Sus scrofa (Pig)	427

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