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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	CHEMBL62888
Molecular formula	C21H28O6S2
IUPAC name	2-[3-[(1R,2S,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-(3-methoxyphenyl)but-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid
Molecular weight	440.569
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	2.3
Synonyms	(3-{(1R,2S,3R)-3-Hydroxy-2-[(E)-(S)-3-hydroxy-4-(3-methoxy-phenyl)-but-1-enyl]-5-oxo-cyclopentylsulfanyl}-propylsulfanyl)-acetic acid BDBM50101844 2-[3-[[(1R)-2beta-[(1E,3S)-3-Hydroxy-4-(3-methoxyphenyl)-1-butenyl]-3alpha-hydroxy-5-oxocyclopentane-1alpha-yl]thio]propylthio]acetic acid
Inchi Key	FVUMVRZMKJTVOG-SXHXOKGWSA-N
Inchi ID	InChI=1S/C21H28O6S2/c1-27-16-5-2-4-14(11-16)10-15(22)6-7-17-18(23)12-19(24)21(17)29-9-3-8-28-13-20(25)26/h2,4-7,11,15,17-18,21-23H,3,8-10,12-13H2,1H3,(H,25,26)/b7-6+/t15-,17+,18-,21-/m1/s1
PubChem CID	44304052
ChEMBL	CHEMBL62888
IUPHAR	N/A
BindingDB	50101844
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	PMID11454473	BindingDB,ChEMBL

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