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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Prostacyclin receptor
Species	Rattus norvegicus (Rat)
Gene	Ptgir
Synonym	PGI receptor PGI2 receptor IP receptor prostacyclin receptor prostaglandin I2 (prostacyclin) receptor (IP) prostaglandin I2 receptor prostanoid IP receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	416
Amino acid sequence	MVASGGRPDGPPSITPESPLIVGGREWQGMAGSCWNITYVQDSVGPATSTLMFVAGVVGNGLALGILGARRRSHPSAFAVLVTGLAVTDLLGTCFLSPAVFVAYARNSSLLGLAHGGTMLCDTFAFAMTFFGLASTLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCCLFCSLPLLGLGEHQQYCPGSWCFIRMRSPQPGGCAFSLAYASLMALLVTSIFFCNGSVTLSLCHMYRQQRRHHGSFVPTSRAREDEVYHLILLALMTGIMAVCSLPLTIRGFTQAIAPDSREMGDLHAFRFNAFNPILDPWVFILFRKAVFQRLKFWLCCLCARSVHGDLQTPLSRPVSGRRDTLAPDSLQAKEGNWVPLSTWGTGQVAPLTAVPLSGGDGCSVGMPSKTEAVVACSLC
UniProt	P43253
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3322
IUPHAR	345
DrugBank	N/A

Ligand

Name	Selexipag
Molecular formula	C26H32N4O4S
IUPAC name	2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide
Molecular weight	496.626
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	SB17055 Uptravi (TN) 144383-EP2292231A1 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}-N-(methylsulfonyl)acetamide AK298890 D09994 MolPort-009-019-323 Selexipag (JAN/USAN/INN) 2-(4-((5,6-Diphenylpyrazinyl)(1-methylethyl)amino)butoxy)-N-(methylsulfonyl)-acetamide 5EXC0E384L BCP09146 DB11362 NS 304; ACT 293987; Uptravi UNII-5EXC0E384L 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide ACT 293987 CS-3774 KB-79567 QXWZQTURMXZVHJ-UHFFFAOYSA-N SCHEMBL674122 ZINC3990451 2-(4-((5,6-diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)-N-(methylsulfonyl)acetamide 3938AH AKOS024457572 D0N2SR NCGC00370833-01 Selexipag [USAN:INN] 2-[4-[(5,6-Diphenyl-2-pyrazinyl)(1-methylethyl)amino]butoxy]-N-(methylsulfonyl)acetamide CHEBI:90844 GTPL7552 NS-304 RT-014761 Uptravi 144383-EP2289518A1 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-methanesulfonylacetamide ACT-293987 CTK8F0123 KS-00000L89 2-(4-((5,6-Diphenylpyrazin-2-yl)(propan-2-yl)amino)butoxy}-n-(methanesulfonyl)acetamide 475086-01-2 B7378 NS 304 Selexipag(NS-304) 2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide AC-30209 CHEMBL238804 HY-14870 NS-304(Selexipag) [ Show all ]
Inchi Key	QXWZQTURMXZVHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H32N4O4S/c1-20(2)30(16-10-11-17-34-19-24(31)29-35(3,32)33)23-18-27-25(21-12-6-4-7-13-21)26(28-23)22-14-8-5-9-15-22/h4-9,12-15,18,20H,10-11,16-17,19H2,1-3H3,(H,29,31)
PubChem CID	9913767
ChEMBL	N/A
IUPHAR	7552
BindingDB	N/A
DrugBank	DB11362
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	2100.0 nM	PMID17545310	IUPHAR

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