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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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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	MRE-269
Molecular formula	C25H29N3O3
IUPAC name	2-[4-[(5,6-diphenylpyrazin-2-yl)-propan-2-ylamino]butoxy]acetic acid
Molecular weight	419.525
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	(4-((5,6-Diphenylpyrazinyl)(1-methylethyl)amino)butoxy)-acetic acid CHEBI:90848 ZINC1553986 2-[4-[Isopropyl(5,6-diphenylpyrazine-2-yl)amino]butoxy]acetic acid ACT-333679;MRE269;MRE 269;ACT333679;ACT 333679 E9PC7N0DID SB19699 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}acetic acid BCP16833 MolPort-009-019-324 Y0263 144382-EP2289518A1 ACT 333679 CHEMBL239226 MRE269 {4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}acetic acid 2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]acetic acid ACT333679 GTPL5852 SCHEMBL676234 (4-((5,6-Diphenylpyrazin-2-yl)(isopropyl)amino)butoxy)acetic acid 475085-57-5 BRD-K57391913-001-01-4 MRE 269 Z-3153 144382-EP2292231A1 ACT-333679 CS-6104 OJQMKCBWYCWFPU-UHFFFAOYSA-N {4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid 2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid AKOS027307832 HY-79593 UNII-E9PC7N0DID [ Show all ]
Inchi Key	OJQMKCBWYCWFPU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
PubChem CID	9931891
ChEMBL	N/A
IUPHAR	5852
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	220.0 nM	PMID17545310	IUPHAR

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