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GLASS

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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	15(R)-Prostaglandin E1
Molecular formula	C20H34O5
IUPAC name	7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Molecular weight	354.487
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.2
Synonyms	15-epi-PGE1 7-[(1R,2R,3R)-3-Hydroxy-2-((E)-(R)-3-hydroxy-oct-1-enyl)-5-oxo-cyclopentyl]-heptanoic acid HMS3648D07 V2N896SN9V 15R-Prostaglandin E1 AC1NR1FD Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11alpha,13E,15R)- 15(R)-PGE1 7-((1R,2R,3R)-3-Hydroxy-2-((1E,3R)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)heptanoic acid SR-01000946408-1 15-Epiprostaglandin E1 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid J-013704 ZINC3830202 20897-91-0 Alprostadil impurity D [EP] SCHEMBL11786980 7-((1R,2R,3R)-3-hydroxy-2-((R,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)heptanoic acid CHEMBL62570 UNII-V2N896SN9V 15R-PGE1 9-oxo-11R,15R-dihydroxy-13E-prostaenoic acid LMFA03010055 1213AH BDBM50101828 SR-01000946408 [ Show all ]
Inchi Key	GMVPRGQOIOIIMI-CHCORRSHSA-N
Inchi ID	InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17-,19-/m1/s1
PubChem CID	5283056
ChEMBL	CHEMBL62570
IUPHAR	N/A
BindingDB	50101828
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	137.0 nM	PMID6266565	BindingDB

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