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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	CHEMBL280223
Molecular formula	C23H31NO4
IUPAC name	7-[(2R)-2-[(E)-3-hydroxy-3-(1-phenylcyclopropyl)prop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid
Molecular weight	385.504
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.8
Synonyms	7-{(R)-2-[(E)-3-Hydroxy-3-(1-phenyl-cyclopropyl)-propenyl]-5-oxo-pyrrolidin-1-yl}-heptanoic acid 7-[(2R)-2beta-[3-Hydroxy-3-(1-phenylcyclopropyl)-1-propenyl]-5-oxopyrrolizino]heptanoic acid SCHEMBL6710521 BDBM50125409 DVDIXSPSNQPVNX-QHYGYJHXSA-N 7-{(2R)-2-[(1E)-3-hydroxy-3-(1-phenylcyclopropyl)prop-1-enyl]-5-oxopyrrolidin-1-yl}heptanoic acid SCHEMBL6710516 [ Show all ]
Inchi Key	DVDIXSPSNQPVNX-QHYGYJHXSA-N
Inchi ID	InChI=1S/C23H31NO4/c25-20(23(15-16-23)18-8-4-3-5-9-18)13-11-19-12-14-21(26)24(19)17-7-2-1-6-10-22(27)28/h3-5,8-9,11,13,19-20,25H,1-2,6-7,10,12,14-17H2,(H,27,28)/b13-11+/t19-,20?/m0/s1
PubChem CID	11696697
ChEMBL	CHEMBL280223
IUPHAR	N/A
BindingDB	50125409
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	<13000.0 nM	PMID12643927	BindingDB,ChEMBL

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