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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	2,3-Dkpgf1alpha
Molecular formula	C18H30O6
IUPAC name	5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid
Molecular weight	342.432
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.7
Synonyms	2,3-Dinor, 6-keto-PGF1a 2,3-Dinor-6-ketoprostaglandin F1alpha BML1-G08 NCGC00161295-01 2,3-dinor-6-Keto prostaglandin F1alpha 2,3-Dinor-6-oxo-prostaglandin F1a 6-oxo-9S,11R,15S-trihydroxy-2,3-dinor-13E-prostaenoic acid Cyclopentanepentanoic acid, 3,5-dihydroxy-2-((1E,3S)-3-hydroxy-1-octenyl)-gamma-oxo-, (1R,2R,3R,5S)- ZINC5820797 (13E,15S)-9alpha,11alpha,15-trihydroxy-2,3-dinor-6-oxoprost-13-en-1-oic acid 2,3-Dinor-6-ketoPGF1alpha 2,3-Dinor-6-oxoprostaglandin F1alpha AC1NR1HM FA(18:1(OH3,Ke,cyclo)) 2,3-dinor, 6-keto-PGF1alpha 2,3-Dinor-6-oxo-PGF1a 5-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-4-oxopentanoic acid CAS_64700-71-6 PGF1alpha, 6-oxo 2,3-DINOR-6-KETO-PGF1a 2,3-dinor-6-oxo-prostaglandin F1alpha 64700-71-6 Cyclopentanepentanoic acid, 3,5-dihydroxy-2-(3-hydroxy-1-octenyl)-gamma-oxo-, (1R-(1alpha,2beta(1E,3S*),3alpha,5alpha))- 1336AH 2,3-dinor-6-ketoprostaglandin F1a 2,3-DKPGF1a BDBM82096 LMFA03010089 2,3-dinor, 6-keto-Prostaglandin F1alpha 2,3-Dinor-6-oxo-pgf1alpha 5-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]cyclopentyl}-4-oxopentanoic acid CHEBI:73944 Pgi2-M 2,3-Dinor-6-keto-pgf1alpha 2,3-Dinor-6-oxoprostaglandin F1a Cyclopentanepentanoicacid,3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-g-oxo-,(1R,2R,3R,5S)- [ Show all ]
Inchi Key	DNKGWNLXBRCUCF-NLOSNHEGSA-N
Inchi ID	InChI=1S/C18H30O6/c1-2-3-4-5-12(19)6-8-14-15(17(22)11-16(14)21)10-13(20)7-9-18(23)24/h6,8,12,14-17,19,21-22H,2-5,7,9-11H2,1H3,(H,23,24)/b8-6+/t12-,14+,15+,16+,17-/m0/s1
PubChem CID	5283084
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82096
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	<10000.0 nM	PMID6266565	BindingDB

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