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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	Homo sapiens (Human)
Gene	PTGIR
Synonym	prostanoid IP receptor prostaglandin I2 receptor prostaglandin I2 (prostacyclin) receptor (IP) prostacyclin receptor PGI2 receptor PGI receptor IP receptor [ Show all ]
Disease	Solid tumours Pulmonary hypertension Medical abortion Pulmonary arterial hypertension Hypertension Gout Chronic renal failure Asthma Aborting second-trimester pregnancy Pulmonary arterial hypertension; Thrombosis [ Show all ]
Length	386
Amino acid sequence	MADSCRNLTYVRGSVGPATSTLMFVAGVVGNGLALGILSARRPARPSAFAVLVTGLAATDLLGTSFLSPAVFVAYARNSSLLGLARGGPALCDAFAFAMTFFGLASMLILFAMAVERCLALSHPYLYAQLDGPRCARLALPAIYAFCVLFCALPLLGLGQHQQYCPGSWCFLRMRWAQPGGAAFSLAYAGLVALLVAAIFLCNGSVTLSLCRMYRQQKRHQGSLGPRPRTGEDEVDHLILLALMTVVMAVCSLPLTIRCFTQAVAPDSSSEMGDLLAFRFYAFNPILDPWVFILFRKAVFQRLKLWVCCLCLGPAHGDSQTPLSQLASGRRDPRAPSAPVGKEGSCVPLSAWGEGQVEPLPPTQQSSGSAVGTSSKAEASVACSLC
UniProt	P43119
Protein Data Bank	N/A
GPCR-HGmod model	P43119
3D structure model	This predicted structure model is from GPCR-EXP P43119.
BioLiP	N/A
Therapeutic Target Database	T99954
ChEMBL	CHEMBL1995
IUPHAR	345
DrugBank	BE0000475

Ligand

Name	Esuberaprost
Molecular formula	C24H30O5
IUPAC name	4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
Molecular weight	398.499
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.2
Synonyms	(1R)-2,3,3abeta,8bbeta-Tetrahydro-2alpha-hydroxy-1beta-[(E,3S,4S)-3-hydroxy-4-methyl-1-octene-6-ynyl]-1H-cyclopenta[b]benzofuran-5-butyric acid APS-314D free acid BPS-314D GTPL8314 APS 314D D10628 UNII-35E3NJJ4O6 component CTPOHARTNNSRSR-NOQAJONNSA-N 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-((1E,3S,4S)-3-hydroxy-4-methyl-1-octen-6-ynyl)-, (1R,2R,3aS,8bS)- Beraprost sodium 314D Esuberaprost (USAN/INN) 94132-88-4 CHEMBL3137314 SCHEMBL13174399 (1R)-1beta-[(3S,4S)-3-Hydroxy-4-methyl-1-octene-6-yne-1-yl]-2alpha-hydroxy-2,3,3abeta,8bbeta-tetrahydro-1H-cyclopenta[b]benzofuran-5-butanoic acid APS-314D DTXSID00240666 ZINC13671573 1JSN1I7582 Beraprost, (+)- Esuberaprost [USAN:INN] AKOS032946529 D0CO3N UNII-1JSN1I7582 [ Show all ]
Inchi Key	CTPOHARTNNSRSR-NOQAJONNSA-N
Inchi ID	InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1
PubChem CID	10501053
ChEMBL	N/A
IUPHAR	8314
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
Kd	13.0 nM	PMID2665758	IUPHAR

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